A0A077ZHT6_TRITR Loading...

Putative eukaryotic translation initiation factor transporter eukaryotic translation initiation factor nuc lear import factor (Predicted)

AlphaFold DB , UniProt , Accession A0A077ZHT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low33.5Very low252 Ų252167.4 Ų167.4100%1.24182%0.824SS**  01010-86.1166.914500108.9
2Q28.9Very low33.2Very low187 Ų187165.4 Ų165.487%0.87483%0.829SS**  trans-86.7126175.9-81.4168.9-23.400110
3R34.5Very low33.1Very low252 Ų252161.6 Ų161.695%0.95183%0.827SS**  trans-14968.4151.9-86.8-169.1171.8176.6-3.2107.8
4S38.4Very low32.9Very low103 Ų103155 Ų15572%0.7282%0.819SS**  trans-83.8110.2165.948.90000107.9F6S4-F6 PolarHBondContact O-N 3.33Å
5S37.9Very low32.4Very low94 Ų94155.5 Ų155.566%0.65782%0.822SS**  trans-54.6120.5177.347.60000111.7F7S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.11Å
6F33.7Very low32.3Very low209 Ų209151.8 Ų151.892%0.91782%0.821SS**  trans-57.5103.7164.2-91.6-104.8000109.8S4S4-F6 PolarHBondContact O-N 3.33Å
7F34Very low32Very low183 Ų183150.2 Ų150.280%0.80382%0.817SS**  trans-92.9104.9155.6-86.5-83.4000107.2S5 K9S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.11Å; F7-K9 PolarHBondContact O-N 3.26Å; F7-K9 VanDerWaalsContact O-N 3.13Å
8S30.8Very low31.8Very low103 Ų103145.4 Ų145.472%0.7281%0.809SS**  trans-61.3110.4173.2-152.50000108.5D10S8-D10 PolarHBondContact O-N 3.13Å
9K31.9Very low31.8Very low161 Ų161144.7 Ų144.770%0.781%0.808SS**  trans-77.6101.4170-82.1176174.6172.40107.3F7 H11F7-K9 PolarHBondContact O-N 3.26Å; F7-K9 VanDerWaalsContact O-N 3.13Å; K9-H11 VanDerWaalsContact CB-CE1 3.46Å; K9-H11 WeakPolarHBondContact CB-CE1 3.46Å; K9-H11 PolarHBondContact O-CD2 3.16Å; K9-H11 PolarHBondContact O-N 3.22Å; K9-H11 PolarHBondContact O-NE2 3.01Å
10D29.6Very low31.5Very low144 Ų144144.1 Ų144.177%0.7781%0.808SS**  trans-78.5102.9162.8-71.2-29.9000108S8 T12S8-D10 PolarHBondContact O-N 3.13Å; D10-T12 PolarHBondContact O-N 3.1Å
11H30Very low31.3Very low153 Ų153141.5 Ų141.571%0.70880%0.8SS**  trans-75.1109.5177.6-52.3-76.3000109.2K9K9-H11 VanDerWaalsContact CB-CE1 3.46Å; K9-H11 WeakPolarHBondContact CB-CE1 3.46Å; K9-H11 PolarHBondContact O-CD2 3.16Å; K9-H11 PolarHBondContact O-N 3.22Å; K9-H11 PolarHBondContact O-NE2 3.01Å
12T30.5Very low31Very low144 Ų144135 Ų13588%0.88378%0.776SS**  trans-111.877.9162-21.50000108.3D10D10-T12 PolarHBondContact O-N 3.1Å
13S31.8Very low30.8Very low116 Ų116137 Ų13781%0.81178%0.776SS**  trans-77.8118.7164.550.50000108.6
14G29.6Very low30.6Very low69 Ų69130.8 Ų130.871%0.71177%0.768SS**  trans-15870.317700000109.3A16G14-A16 PolarHBondContact O-N 3.15Å; G14-A16 VanDerWaalsContact O-N 3.16Å
15D26Very low30.3Very low162 Ų162132.4 Ų132.487%0.86677%0.773SS**  trans-61.2106.6166.4-80.3-41.6000109.2
16A30.2Very low29.8Very low97 Ų97134 Ų13480%0.80278%0.775SS**  trans-121.273.6164.200000108.1G14 G18G14-A16 PolarHBondContact O-N 3.15Å; G14-A16 VanDerWaalsContact O-N 3.16Å; A16-G18 PolarHBondContact O-N 3.17Å
17V27.7Very low30Very low125 Ų125129.3 Ų129.376%0.75877%0.768SS**  trans-74.382.6166.2-176.90000107T19V17-T19 PolarHBondContact O-N 3.1Å; V17-T19 VanDerWaalsContact O-N 3.15Å
18G29.5Very low29.9Very low64 Ų64130.9 Ų130.966%0.6677%0.768SS**  trans-76.492.3172.400000110.1A16 V20A16-G18 PolarHBondContact O-N 3.17Å; G18-V20 PolarHBondContact O-N 3.3Å; G18-V20 VanDerWaalsContact O-N 3.1Å
19T30.2Very low29.8Very low131 Ų131134.1 Ų134.180%0.80477%0.772SS**  trans-57.7106.7170.7-43.80000109.4V17 S21V17-T19 PolarHBondContact O-N 3.1Å; V17-T19 VanDerWaalsContact O-N 3.15Å; T19-S21 PolarHBondContact O-N 3.38Å; T19-S21 VanDerWaalsContact O-N 3.17Å
20V26.7Very low29.7Very low132 Ų132134.2 Ų134.280%0.878%0.78SS**  trans-74.7104.2177.4-1780000108.2G18 P22G18-V20 PolarHBondContact O-N 3.3Å; G18-V20 VanDerWaalsContact O-N 3.1Å; V20-P22 WeakPolarHBondContact O-CD 3.46Å
21S26.9Very low29.7Very low91 Ų91133.2 Ų133.264%0.63678%0.779SS**PPolyproline II helixtrans-67.3122.3166.9-172.60000108.9T19 W23T19-S21 PolarHBondContact O-N 3.38Å; T19-S21 VanDerWaalsContact O-N 3.17Å; S21-W23 PolarHBondContact O-N 3.26Å
22P31.7Very low29.7Very low114 Ų114133.9 Ų133.974%0.7479%0.787SS**PPolyproline II helixtrans-70.1122.9176.226.7-30.8000109.8V20V20-P22 WeakPolarHBondContact O-CD 3.46Å
23W25.5Very low29.7Very low230 Ų230133.4 Ų133.487%0.87178%0.779SS**PPolyproline II helixtrans-68.6130.7175.7-6880.8000109.7S21 V25S21-W23 PolarHBondContact O-N 3.26Å; W23-V25 PolarHBondContact O-N 3.33Å
24P30Very low29.9Very low121 Ų121139.5 Ų139.579%0.78678%0.784SS**PPolyproline II helixtrans-70.2120.1178.527.2-31.1000109.9D26P24-D26 PolarHBondContact O-N 3.27Å
25V32.1Very low30Very low137 Ų137144.5 Ų144.583%0.8379%0.79SS**  trans-76103.2172.1177.40000107.6W23 S27W23-V25 PolarHBondContact O-N 3.33Å; V25-S27 PolarHBondContact O-N 3.4Å
26D27.3Very low30.3Very low129 Ų129141.5 Ų141.569%0.6979%0.787SS**  trans-71.2111.5174.5-160-12.1000109.4P24 R28P24-D26 PolarHBondContact O-N 3.27Å; D26-R28 PolarHBondContact O-N 3.12Å
27S38Very low30.3Very low110 Ų110143.9 Ų143.977%0.76979%0.786SS**THydrogen-bonded Turntrans-82.814-16750.80000114.3V25V25-S27 PolarHBondContact O-N 3.4Å
28R31.9Very low30.4Very low215 Ų215142.9 Ų142.981%0.81179%0.79SS**THydrogen-bonded Turntrans-11212.6-172.2-73.4-171.2167.9179.5-2.5116.8D26D26-R28 PolarHBondContact O-N 3.12Å
29Q28.4Very low30.2Very low171 Ų171142.8 Ų142.880%0.79979%0.79SS**  trans-111.424178.7-81.3-177.76.600116.2T31Q29-T31 VanDerWaalsContact C-N 3.28Å; Q29-T31 PolarHBondContact O-N 3.26Å
30N29.5Very low30.1Very low163 Ų163145.4 Ų145.487%0.87279%0.79SS**  trans-9339169.1-91.9-4.6000113.1
31T29.5Very low30.2Very low124 Ų124144.8 Ų144.876%0.76179%0.789SS**  trans-112.566.1168.9-20.60000108Q29 D33Q29-T31 VanDerWaalsContact C-N 3.28Å; Q29-T31 PolarHBondContact O-N 3.26Å; T31-D33 PolarHBondContact O-N 3.2Å
32L31Very low30.4Very low166 Ų166144.6 Ų144.687%0.86979%0.787SS**  trans-80113168.1-91.7161.6000107.9R34L32-R34 PolarHBondContact O-N 2.83Å
33D31Very low30.5Very low135 Ų135146.8 Ų146.872%0.72279%0.792SS**  trans-45.4127.7-179-83.9-46.7000113.3T31 E35T31-D33 PolarHBondContact O-N 3.2Å; D33-E35 PolarHBondContact O-N 3.23Å
34R35.1Very low30.7Very low243 Ų243143.7 Ų143.792%0.91779%0.785SS**G310 helixtrans-63.7-2.3-179.2-174.4173.6172.1168.1-1114L32L32-R34 PolarHBondContact O-N 2.83Å
35E32.7Very low30.8Very low175 Ų175142.5 Ų142.582%0.81878%0.777SS**G310 helixtrans-93.3-8.2-173.3-66.3-172.1163.400114.5D33 L37D33-E35 PolarHBondContact O-N 3.23Å; E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.18Å
36A32.2Very low31Very low98 Ų98143.9 Ų143.981%0.8178%0.775SS**G310 helixtrans-82.34178.700000115.3
37L30.1Very low31.3Very low148 Ų148145.1 Ų145.178%0.77578%0.781SS**G310 helixtrans-113.314.5-176.6-84.9162.7000115E35 G39E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.18Å; L37-G39 PolarHBondContact O-N 3.18Å
38A29.8Very low30.9Very low103 Ų103142.3 Ų142.385%0.85176%0.764SS**THydrogen-bonded Turntrans-76.826.2-17500000116.2
39G25.6Very low30.7Very low63 Ų63140.4 Ų140.465%0.64977%0.765SS**THydrogen-bonded Turntrans-123.6-8.8-17200000117.5L37L37-G39 PolarHBondContact O-N 3.18Å
40F26.3Very low30.6Very low186 Ų186139.9 Ų139.982%0.81676%0.76SS**SBendtrans-120.1119.3-177.5-77-83.4000111S42F40-S42 PolarHBondContact O-N 3.39Å
41P30.2Very low30.6Very low119 Ų119137.3 Ų137.377%0.77375%0.75SS**  trans-66.710917426.3-30.5000108.7L43P41-L43 PolarHBondContact O-N 3.43Å
42S30.9Very low30.8Very low86 Ų86141.3 Ų141.360%0.60176%0.757SS**  trans-62.8100.7175.3600000109.5F40 F44F40-S42 PolarHBondContact O-N 3.39Å; S42-F44 PolarHBondContact O-N 3.05Å
43L33.2Very low30.7Very low161 Ų161143.8 Ų143.884%0.84376%0.755SS**SBendtrans-76.99169.8-124135.2000112.5P41P41-L43 PolarHBondContact O-N 3.43Å
44F30.3Very low30.4Very low165 Ų165145.2 Ų145.272%0.72476%0.757SS**SBendtrans-111.6120.5170.1-80.8-89.3000108.2S42 E46S42-F44 PolarHBondContact O-N 3.05Å; F44-E46 PolarHBondContact O-N 3.19Å
45P32.2Very low30Very low95 Ų95140.4 Ų140.462%0.61775%0.749SS**  trans-61.4107.6173.623.6-30.3000108N47 A48P45-N47 PolarHBondContact O-N 3.16Å; P45-A48 HydrophobicContact CB-CB 4.27Å; P45-A48 HydrophobicContact CG-CB 3.85Å; P45-A48 PolarHBondContact O-N 2.98Å; P45-A48 VanDerWaalsContact O-N 3.08Å
46E35.8Very low29.7Very low167 Ų167143.5 Ų143.578%0.7875%0.753SS**THydrogen-bonded Turntrans-64.41.2-169.5-130.5-175.7-177.500114.3F44F44-E46 PolarHBondContact O-N 3.19Å
47N33.8Very low29.5Very low155 Ų155148.6 Ų148.683%0.82976%0.757SS**THydrogen-bonded Turntrans-133.515.5175.8-68.7-50.2000114.4P45 Q49P45-N47 PolarHBondContact O-N 3.16Å; N47-Q49 VanDerWaalsContact C-N 3.27Å; N47-Q49 PolarHBondContact O-N 2.95Å
48A28.8Very low29.4Very low50 Ų50146.5 Ų146.541%0.41376%0.755SS.*  trans-77.384.416900000109.1P45 F50P45-A48 HydrophobicContact CB-CB 4.27Å; P45-A48 HydrophobicContact CG-CB 3.85Å; P45-A48 PolarHBondContact O-N 2.98Å; P45-A48 VanDerWaalsContact O-N 3.08Å; A48-F50 VanDerWaalsContact C-N 3.29Å; A48-F50 HydrophobicContact CB-CE2 4.48Å; A48-F50 WeakPolarHBondContact O-CD2 3.46Å; A48-F50 PolarHBondContact O-N 2.83Å
49Q28.9Very low29.2Very low176 Ų176149 Ų14982%0.82275%0.753SS**  trans-50.398.1161.3-74.6177.4-7.800108N47 T51N47-Q49 VanDerWaalsContact C-N 3.27Å; N47-Q49 PolarHBondContact O-N 2.95Å; Q49-T51 PolarHBondContact O-N 3.45Å
50F26.3Very low29.4Very low159 Ų159151.6 Ų151.670%0.69776%0.759SS**  trans-66.187.8170.3-82.5-87.1000107.3A48 K52A48-F50 VanDerWaalsContact C-N 3.29Å; A48-F50 HydrophobicContact CB-CE2 4.48Å; A48-F50 WeakPolarHBondContact O-CD2 3.46Å; A48-F50 PolarHBondContact O-N 2.83Å; F50-K52 PolarHBondContact O-N 3.36Å
51T28.3Very low29.5Very low109 Ų109150.4 Ų150.467%0.66976%0.76SS**  trans-57.5127.6167.241.60000107Q49 R53Q49-T51 PolarHBondContact O-N 3.45Å; T51-R53 PolarHBondContact O-N 3.33Å
52K34.9Very low29.4Very low209 Ų209150.9 Ų150.991%0.90975%0.752SS**THydrogen-bonded Turntrans-54.620-173.6-102.8177.3175.81770116.5F50F50-K52 PolarHBondContact O-N 3.36Å
53R28.3Very low29.4Very low218 Ų218151.8 Ų151.882%0.82376%0.755SS**THydrogen-bonded Turntrans-130.318.4-172.9-74.5-170.7173.8-178-1115.4T51 L55T51-R53 PolarHBondContact O-N 3.33Å; R53-L55 PolarHBondContact O-N 2.97Å
54Q24.1Very low29.4Very low165 Ų165151.8 Ų151.877%0.77175%0.751SS**  trans-80.662152.8-74.8-169.5-3.100109.4W56Q54-W56 PolarHBondContact O-N 3.48Å; Q54-W56 VanDerWaalsContact O-N 3.16Å
55L27.5Very low29.3Very low141 Ų141152.3 Ų152.374%0.73875%0.754SS**  trans-57.3114.3158.1-87.3154.8000105.8R53 K57R53-L55 PolarHBondContact O-N 2.97Å; L55-K57 PolarHBondContact O-N 3.1Å
56W27.1Very low29.1Very low241 Ų241153.5 Ų153.591%0.91376%0.763SS**  trans-31.5107.2161.2-65.677000108.1Q54 S58Q54-W56 PolarHBondContact O-N 3.48Å; Q54-W56 VanDerWaalsContact O-N 3.16Å; W56-S58 PolarHBondContact O-N 3.01Å
57K27.1Very low28.6Very low204 Ų204157.1 Ų157.189%0.88777%0.769SS**  trans-60.893171.4-73.7-178.5176.9-179.50105.2L55 L59L55-K57 PolarHBondContact O-N 3.1Å; K57-L59 PolarHBondContact O-N 3.27Å
58S28.4Very low28.2Very low104 Ų104152.6 Ų152.673%0.72776%0.759SS**  trans-53.6112.2173.248.80000106.4W56 P60W56-S58 PolarHBondContact O-N 3.01Å; S58-P60 WeakPolarHBondContact O-CD 3.33Å; S58-P60 VanDerWaalsContact O-N 3.15Å
59L25.4Very low28.3Very low156 Ų156155.2 Ų155.282%0.81778%0.781SS**  trans-48.2120.7166.5-137.681000106.5K57 L61K57-L59 PolarHBondContact O-N 3.27Å; L59-L61 PolarHBondContact O-N 2.79Å
60P28.9Very low28.2Very low117 Ų117153.9 Ų153.976%0.7678%0.779SS**  trans-63.3111.1179.523.2-30.1000108S58 Q62S58-P60 WeakPolarHBondContact O-CD 3.33Å; S58-P60 VanDerWaalsContact O-N 3.15Å; P60-Q62 PolarHBondContact O-N 2.92Å; P60-Q62 VanDerWaalsContact O-N 3.11Å
61L29.5Very low28.3Very low162 Ų162155.9 Ų155.985%0.84878%0.782SS**  trans-61.9113.3169.8-69.4167.1000106.6L59L59-L61 PolarHBondContact O-N 2.79Å
62Q27.1Very low28.5Very low129 Ų129156.2 Ų156.260%0.60379%0.786SS**  trans-46.3124.8177.2-78.2-86.40.300109.7P60 E64 F65P60-Q62 PolarHBondContact O-N 2.92Å; P60-Q62 VanDerWaalsContact O-N 3.11Å; Q62-E64 PolarHBondContact O-N 2.67Å; Q62-F65 PolarHBondContact O-N 2.77Å
63P31.4Very low28.3Very low104 Ų104155.4 Ų155.468%0.67578%0.779SS**G310 helixtrans-67.7-5.7-17225.3-33.4000114.4F65 C66P63-F65 PolarHBondContact O-N 2.81Å; P63-C66 PolarHBondContact O-N 2.97Å
64E32.4Very low28.2Very low162 Ų162152.8 Ų152.876%0.75778%0.78SS**G310 helixtrans-66.1-16176.2-67.1179.6166.500113.1Q62 C66Q62-E64 PolarHBondContact O-N 2.67Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.17Å
65F29.6Very low28.3Very low176 Ų176153.5 Ų153.577%0.77278%0.784SS**G310 helixtrans-72.2-2.4176.2-88.9-82.5000115.2Q62 P63Q62-F65 PolarHBondContact O-N 2.77Å; P63-F65 PolarHBondContact O-N 2.81Å
66C27.6Very low28.5Very low119 Ų119153.6 Ų153.680%0.80478%0.784SS**G310 helixtrans-103.67.2-177.6-68.40000115.3P63 E64P63-C66 PolarHBondContact O-N 2.97Å; E64-C66 PolarHBondContact O-N 2.92Å; E64-C66 VanDerWaalsContact O-N 3.17Å
67R25.8Very low28.6Very low244 Ų244146.8 Ų146.892%0.92177%0.771SS**SBendtrans-132100172.3-93.2-171.6-178.7-162.21.7110.9
68G25.4Very low28.7Very low60 Ų60142.3 Ų142.362%0.61977%0.772SS**  trans155.899.9170.900000111.2D70G68-D70 PolarHBondContact O-N 2.87Å
69A30.7Very low28.7Very low104 Ų104141 Ų14186%0.8678%0.775SS**  trans-78.857.4-172.400000113
70D26.5Very low28.8Very low148 Ų148144.1 Ų144.179%0.79178%0.776SS**  trans-125.732.8-177-67.2-42.5000113.8G68 P72G68-D70 PolarHBondContact O-N 2.87Å; D70-P72 WeakPolarHBondContact O-CD 3.21Å
71W27.9Very low28.9Very low202 Ų202142.7 Ų142.777%0.76577%0.769SS**  trans-89111.3163.9-79.891.6000109.3Y73W71-Y73 PolarHBondContact O-N 3.19Å
72P33.1Very low29Very low115 Ų115140.5 Ų140.575%0.74777%0.767SS**THydrogen-bonded Turntrans-77.720.8-166.432.1-35.8000114.3D70D70-P72 WeakPolarHBondContact O-CD 3.21Å
73Y30.5Very low29.1Very low193 Ų193142.3 Ų142.376%0.75778%0.775SS**THydrogen-bonded Turntrans-95.910.6-179.3-76-74.4000114.8W71W71-Y73 PolarHBondContact O-N 3.19Å
74L26.6Very low29.1Very low162 Ų162148.2 Ų148.285%0.84878%0.784SS**  trans-123.440.5-179.8-80.2171.8000115.2
75Q25.4Very low29.2Very low181 Ų181147.8 Ų147.885%0.84679%0.786SS**  trans-118.376.8149.5-138169.920.800108.9P77Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.48Å
76L31.6Very low29.3Very low143 Ų143145 Ų14575%0.74979%0.785SS**  trans-57.8119157-97.797.3000105.9A78L76-A78 PolarHBondContact O-N 3.11Å
77P29.3Very low29.6Very low97 Ų97147.6 Ų147.663%0.6379%0.786SS**  trans-61.2108.2179.921.9-30.2000108.5Q75 G79Q75-P77 VanDerWaalsContact O-CD 3.27Å; Q75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-G79 PolarHBondContact O-N 3.43Å
78A28.7Very low29.8Very low110 Ų110147 Ų14791%0.90978%0.783SS**THydrogen-bonded Turntrans-58.3119.8171.800000107.8L76L76-A78 PolarHBondContact O-N 3.11Å
79G28.9Very low30.5Very low78 Ų78154.7 Ų154.780%0.80479%0.794SS**THydrogen-bonded Turntrans120.3-1168.200000117.3P77 S81P77-G79 PolarHBondContact O-N 3.43Å; G79-S81 PolarHBondContact O-N 3Å
80R28.3Very low30.6Very low220 Ų220157 Ų15783%0.8379%0.792SS**  trans-97.692.5172.6-67-168177.3-1590.1110.8S82R80-S82 PolarHBondContact O-N 3.29Å
81S30.2Very low31.3Very low88 Ų88154.2 Ų154.262%0.61578%0.776SS**  trans-47133.216747.70000110.2G79 H83G79-S81 PolarHBondContact O-N 3Å; S81-H83 VanDerWaalsContact C-N 3.31Å; S81-H83 PolarHBondContact O-CD2 3.35Å; S81-H83 VanDerWaalsContact O-CD2 3.24Å; S81-H83 PolarHBondContact O-N 3.47Å
82S32.7Very low31.8Very low116 Ų116148.2 Ų148.281%0.81176%0.763SS**  trans-46.386.4176.9-173.50000112.1R80 R84R80-S82 PolarHBondContact O-N 3.29Å; S82-R84 VanDerWaalsContact C-N 3.33Å; S82-R84 PolarHBondContact O-N 3.09Å
83H29.1Very low32.2Very low166 Ų166148.7 Ų148.777%0.76976%0.759SS**  trans-73.296.4166.4-78.6-76.6000106.5S81 L85S81-H83 VanDerWaalsContact C-N 3.31Å; S81-H83 PolarHBondContact O-CD2 3.35Å; S81-H83 VanDerWaalsContact O-CD2 3.24Å; S81-H83 PolarHBondContact O-N 3.47Å; H83-L85 PolarHBondContact O-N 3.33Å; H83-L85 VanDerWaalsContact O-N 3.13Å
84R31.1Very low32.7Very low229 Ų229145.5 Ų145.586%0.86475%0.754SS**  trans-43.7120.2166.9-80.8-179.8169.4178.8-3.3108.7S82S82-R84 VanDerWaalsContact C-N 3.33Å; S82-R84 PolarHBondContact O-N 3.09Å
85L35.1Very low33.5Very low152 Ų152141.1 Ų141.180%0.79673%0.734SS**  trans-45126.5175.6-67.7163.5000109.5H83 H87H83-L85 PolarHBondContact O-N 3.33Å; H83-L85 VanDerWaalsContact O-N 3.13Å; L85-H87 PolarHBondContact O-N 2.88Å
86P31.4Very low34.3Very low117 Ų117135.9 Ų135.976%0.7671%0.711SS**  trans-61.7111-175.921.7-29.9000109.6R88P86-R88 VanDerWaalsContact C-N 3.27Å; P86-R88 PolarHBondContact O-N 3.25Å
87H33.2Very low34.7Very low175 Ų175132.9 Ų132.981%0.8170%0.696SS**SBendtrans-76.478179.9-165.672.8000109.2L85L85-H87 PolarHBondContact O-N 2.88Å
88R30.7Very low35.3Very low230 Ų230130.4 Ų130.487%0.86868%0.684SS**  trans176.973.5156.6-99.7174.2-166.1-1435.7108P86 N90P86-R88 VanDerWaalsContact C-N 3.27Å; P86-R88 PolarHBondContact O-N 3.25Å; R88-N90 PolarHBondContact O-N 2.89Å; R88-N90 VanDerWaalsContact O-N 3.09Å
89R39.4Very low35.8Very low222 Ų222130.9 Ų130.984%0.83867%0.669SS**  trans-68.1105.3159.1-74.3-177171.9172.7-3.3105.8I91R89-I91 HydrophobicContact CB-CG1 4.38Å; R89-I91 PolarHBondContact O-N 3.24Å
90N32.6Very low36.4Very low154 Ų154131.2 Ų131.282%0.82465%0.651SS**  trans-57.887.8157.6-79.5-24.1000106.2R88 P92R88-N90 PolarHBondContact O-N 2.89Å; R88-N90 VanDerWaalsContact O-N 3.09Å; N90-P92 VanDerWaalsContact O-CD 3.29Å; N90-P92 WeakPolarHBondContact O-CD 3.32Å
91I41.4Very low37.1Very low88 Ų88127.6 Ų127.645%0.45164%0.644SS.*  trans-68.2117.7168-58.8174.5000103.9R89 L93 V95 I96R89-I91 HydrophobicContact CB-CG1 4.38Å; R89-I91 PolarHBondContact O-N 3.24Å; I91-L93 PolarHBondContact O-N 3.1Å; I91-V95 HydrophobicContact CG2-CB 3.74Å; I91-V95 HydrophobicContact CG2-CG1 3.8Å; I91-I96 HydrophobicContact CB-CD1 4.22Å; I91-I96 HydrophobicContact CB-CG1 4.05Å; I91-I96 HydrophobicContact CG2-CD1 4.34Å; I91-I96 HydrophobicContact CG2-CG1 3.62Å
92P38.6Very low37.7Very low76 Ų76129.7 Ų129.749%0.49465%0.647SS.*  trans-52.6136.1177-22.632.6000108.8N90 D94 V95 I96N90-P92 VanDerWaalsContact O-CD 3.29Å; N90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-D94 PolarHBondContact O-N 3.08Å; P92-V95 HydrophobicContact CB-CG2 4.32Å; P92-V95 HydrophobicContact CG-CG2 4.31Å; P92-V95 WeakPolarHBondContact O-CB 3.36Å; P92-V95 PolarHBondContact O-N 2.85Å; P92-I96 PolarHBondContact O-N 3.16Å
93L40.8Very low38.4Very low126 Ų126132.7 Ų132.766%0.6665%0.645SS**Hα-helixtrans-53.1-30.3-179.1-92.9121.9000111.8I91 V95 I96 N97I91-L93 PolarHBondContact O-N 3.1Å; L93-V95 VanDerWaalsContact C-N 3.31Å; L93-V95 PolarHBondContact O-N 2.99Å; L93-I96 CarbonylContact O-C 3.59Å; L93-I96 WeakPolarHBondContact O-CB 3.33Å; L93-I96 PolarHBondContact O-N 2.91Å; L93-I96 VanDerWaalsContact O-N 3.14Å; L93-N97 WeakPolarHBondContact O-CB 3.19Å; L93-N97 PolarHBondContact O-N 2.93Å; L93-N97 PolarHBondContact O-ND2 2.83Å
94D42.1Very low38.7Very low125 Ų125131 Ų13167%0.66864%0.642SS**Hα-helixtrans-60.7-37.7175.5-54.3-26.6000112.9P92 A98P92-D94 PolarHBondContact O-N 3.08Å; D94-A98 VanDerWaalsContact O-CB 3.3Å; D94-A98 WeakPolarHBondContact O-CB 3.33Å; D94-A98 PolarHBondContact O-N 3.19Å
95V44.1Very low38.8Very low70 Ų70123.7 Ų123.742%0.42462%0.623SS.*Hα-helixtrans-73.3-36.6176179.40000110.5I91 P92 L93 M99I91-V95 HydrophobicContact CG2-CB 3.74Å; I91-V95 HydrophobicContact CG2-CG1 3.8Å; P92-V95 HydrophobicContact CB-CG2 4.32Å; P92-V95 HydrophobicContact CG-CG2 4.31Å; P92-V95 WeakPolarHBondContact O-CB 3.36Å; P92-V95 PolarHBondContact O-N 2.85Å; L93-V95 VanDerWaalsContact C-N 3.31Å; L93-V95 PolarHBondContact O-N 2.99Å; V95-M99 WeakPolarHBondContact O-CB 3.49Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.47Å; V95-M99 PolarHBondContact O-N 2.73Å
96I41.5Very low39.1Very low71 Ų71122.1 Ų122.136%0.36462%0.622SS.*Hα-helixtrans-64.6-45.3174.4-58.4178.9000109.8I91 P92 L93 M99 I100I91-I96 HydrophobicContact CB-CD1 4.22Å; I91-I96 HydrophobicContact CB-CG1 4.05Å; I91-I96 HydrophobicContact CG2-CD1 4.34Å; I91-I96 HydrophobicContact CG2-CG1 3.62Å; P92-I96 PolarHBondContact O-N 3.16Å; L93-I96 CarbonylContact O-C 3.59Å; L93-I96 WeakPolarHBondContact O-CB 3.33Å; L93-I96 PolarHBondContact O-N 2.91Å; L93-I96 VanDerWaalsContact O-N 3.14Å; I96-M99 PolarHBondContact O-N 2.91Å; I96-I100 HydrophobicContact CG2-CD1 3.92Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.43Å; I96-I100 PolarHBondContact O-N 2.91Å
97N38.6Very low39.6Very low81 Ų81126.2 Ų126.243%0.43363%0.628SS.*Hα-helixtrans-63.8-43.9178-70.6-15000111.1L93 M99 I100 E101L93-N97 WeakPolarHBondContact O-CB 3.19Å; L93-N97 PolarHBondContact O-N 2.93Å; L93-N97 PolarHBondContact O-ND2 2.83Å; N97-M99 VanDerWaalsContact C-N 3.29Å; N97-M99 PolarHBondContact O-N 3.08Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-E101 PolarHBondContact O-N 2.94Å
98A42.7Very low39.8Very low44 Ų44124.6 Ų124.636%0.36462%0.623SS.*Hα-helixtrans-61.1-37.6174.600000112.3D94 I100 L102D94-A98 VanDerWaalsContact O-CB 3.3Å; D94-A98 WeakPolarHBondContact O-CB 3.33Å; D94-A98 PolarHBondContact O-N 3.19Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-L102 WeakPolarHBondContact O-CB 3.27Å; A98-L102 PolarHBondContact O-N 3.46Å
99M39.7Very low40.2Very low121 Ų121117.9 Ų117.960%0.59660%0.604SS**Hα-helixtrans-69.8-29.4174.5-75.8-176.164.800113.2V95 I96 N97 K103V95-M99 WeakPolarHBondContact O-CB 3.49Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.47Å; V95-M99 PolarHBondContact O-N 2.73Å; I96-M99 PolarHBondContact O-N 2.91Å; N97-M99 VanDerWaalsContact C-N 3.29Å; N97-M99 PolarHBondContact O-N 3.08Å; M99-K103 PolarHBondContact O-N 3.26Å
100I41.5Very low40.4Very low85 Ų85112 Ų11244%0.43660%0.595SS.*Hα-helixtrans-75.4-43.4175-66.8165.5000110.1I96 N97 A98 L102 K103 D104I96-I100 HydrophobicContact CG2-CD1 3.92Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.43Å; I96-I100 PolarHBondContact O-N 2.91Å; N97-I100 PolarHBondContact O-N 3.43Å; A98-I100 VanDerWaalsContact C-N 3.34Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 3.45Å; I100-K103 WeakPolarHBondContact O-CA 3.31Å; I100-K103 VanDerWaalsContact O-CB 3.31Å; I100-K103 WeakPolarHBondContact O-CB 3.45Å; I100-K103 PolarHBondContact O-N 3.27Å; I100-D104 PolarHBondContact O-N 3.36Å
101E42.9Very low40.6Very low144 Ų144109 Ų10967%0.67358%0.582SS**Hα-helixtrans-61.5-35.5173-80.8-174.2152.700112.3N97 K103 D104 T105N97-E101 PolarHBondContact O-N 2.94Å; E101-K103 PolarHBondContact O-N 3.29Å; E101-D104 PolarHBondContact O-N 3.19Å; E101-T105 PolarHBondContact O-N 3.15Å; E101-T105 PolarHBondContact O-OG1 3.02Å
102L43.1Very low40.5Very low131 Ų131111.7 Ų111.769%0.68659%0.59SS**Hα-helixtrans-68.2-18.8171.2-86.7159.7000113.7A98 I100 T105A98-L102 WeakPolarHBondContact O-CB 3.27Å; A98-L102 PolarHBondContact O-N 3.46Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 3.45Å; L102-T105 WeakPolarHBondContact CA-OG1 3.36Å; L102-T105 PolarHBondContact O-OG1 3.28Å
103K46.6Very low40.4Very low179 Ų179111.3 Ų111.378%0.77858%0.584SS**Hα-helixtrans-83-34.8171.8-87.1-173.2171.1-1650112.5M99 I100 E101M99-K103 PolarHBondContact O-N 3.26Å; I100-K103 WeakPolarHBondContact O-CA 3.31Å; I100-K103 VanDerWaalsContact O-CB 3.31Å; I100-K103 WeakPolarHBondContact O-CB 3.45Å; I100-K103 PolarHBondContact O-N 3.27Å; E101-K103 PolarHBondContact O-N 3.29Å
104D35.2Very low40.2Very low130 Ų130112.2 Ų112.270%0.69558%0.579SS**Hα-helixtrans-87.3-11.9-177.3-69.8-24.3000113.1I100 E101 P106I100-D104 PolarHBondContact O-N 3.36Å; E101-D104 PolarHBondContact O-N 3.19Å; D104-P106 WeakPolarHBondContact O-CD 3.3Å
105T33.6Very low40Very low77 Ų77110.2 Ų110.247%0.47257%0.567SS.*SBendtrans-72.9120166.238.40000109.5E101 L102 K107E101-T105 PolarHBondContact O-N 3.15Å; E101-T105 PolarHBondContact O-OG1 3.02Å; L102-T105 WeakPolarHBondContact CA-OG1 3.36Å; L102-T105 PolarHBondContact O-OG1 3.28Å; T105-K107 PolarHBondContact O-N 2.96Å
106P40.7Very low39.8Very low119 Ų119110.4 Ų110.477%0.77357%0.571SS**  trans-65.595.2-176.425.4-33.2000109.2D104 M108D104-P106 WeakPolarHBondContact O-CD 3.3Å; P106-M108 WeakPolarHBondContact O-CA 3.47Å; P106-M108 PolarHBondContact O-N 3.24Å
107K43.3Very low39.8Very low203 Ų203113.7 Ų113.788%0.88359%0.59SS**  trans5.568.9173.9-69.9-176.7-179.9177.50112.7T105 N109T105-K107 PolarHBondContact O-N 2.96Å; K107-N109 PolarHBondContact O-N 2.92Å
108M37.3Very low39.7Very low141 Ų141113.8 Ų113.870%0.69559%0.589SS**  trans-75.195.9178.1-161.6142.913700102.5P106 P110 D113P106-M108 WeakPolarHBondContact O-CA 3.47Å; P106-M108 PolarHBondContact O-N 3.24Å; M108-P110 WeakPolarHBondContact O-CD 3.45Å; M108-D113 WeakPolarHBondContact CE-OD2 3.3Å; M108-D113 WeakPolarHBondContact CG-OD2 3.49Å
109N39.1Very low39.2Very low88 Ų88114.4 Ų114.447%0.47160%0.6SS.*  trans-62.5100.9-173.6-176.5-7.9000106K107 V111 K112 D113K107-N109 PolarHBondContact O-N 2.92Å; N109-V111 PolarHBondContact O-N 2.98Å; N109-K112 HydrophobicContact CB-CB 3.97Å; N109-K112 WeakPolarHBondContact O-CB 3.41Å; N109-K112 PolarHBondContact O-N 3.03Å; N109-D113 PolarHBondContact O-N 3.44Å
110P43.5Very low38.6Very low100 Ų100115.2 Ų115.265%0.64960%0.601SS**Hα-helixtrans-66.4-22.2-16727.3-31.1000110.5M108 Y114M108-P110 WeakPolarHBondContact O-CD 3.45Å; P110-Y114 VanDerWaalsContact O-CB 3.22Å; P110-Y114 WeakPolarHBondContact O-CB 3.46Å; P110-Y114 PolarHBondContact O-N 3.43Å; P110-Y114 VanDerWaalsContact O-N 3.12Å
111V35.6Very low38.2Very low91 Ų91119.5 Ų119.555%0.55262%0.616SS**Hα-helixtrans-66.9-39.4172.8-174.90000111.2N109 M115N109-V111 PolarHBondContact O-N 2.98Å; V111-M115 HydrophobicContact CG1-CG 4.5Å; V111-M115 HydrophobicContact CG1-SD 4.12Å; V111-M115 WeakPolarHBondContact O-CB 3.38Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.43Å; V111-M115 PolarHBondContact O-N 3.25Å
112K40.6Very low37.7Very low144 Ų144118.9 Ų118.963%0.62661%0.613SS**Hα-helixtrans-72.1-43.7-175.7-151.2176.6-174-176.70111.3N109 M115 S116N109-K112 HydrophobicContact CB-CB 3.97Å; N109-K112 WeakPolarHBondContact O-CB 3.41Å; N109-K112 PolarHBondContact O-N 3.03Å; K112-M115 PolarHBondContact O-N 2.81Å; K112-S116 PolarHBondContact O-N 2.82Å; K112-S116 VanDerWaalsContact O-N 3.08Å; K112-S116 PolarHBondContact O-OG 2.71Å
113D36.1Very low36.9Very low68 Ų68117.4 Ų117.436%0.36461%0.61SS.*Hα-helixtrans-69-37.4177.4-73.3-14.4000112M108 N109 S116 N117M108-D113 WeakPolarHBondContact CE-OD2 3.3Å; M108-D113 WeakPolarHBondContact CG-OD2 3.49Å; N109-D113 PolarHBondContact O-N 3.44Å; D113-S116 VanDerWaalsContact C-OG 3.32Å; D113-S116 VanDerWaalsContact CA-OG 3.25Å; D113-S116 WeakPolarHBondContact CA-OG 3.45Å; D113-S116 PolarHBondContact O-N 2.95Å; D113-S116 PolarHBondContact O-OG 2.76Å; D113-N117 WeakPolarHBondContact O-CB 3.29Å; D113-N117 PolarHBondContact O-N 2.85Å
114Y36.6Very low36Very low144 Ų144116.7 Ų116.757%0.56561%0.607SS**Hα-helixtrans-67.1-43.3175.4-164.2-116000111.4P110 S116 N117 I118P110-Y114 VanDerWaalsContact O-CB 3.22Å; P110-Y114 WeakPolarHBondContact O-CB 3.46Å; P110-Y114 PolarHBondContact O-N 3.43Å; P110-Y114 VanDerWaalsContact O-N 3.12Å; Y114-S116 VanDerWaalsContact C-N 3.3Å; Y114-S116 PolarHBondContact O-N 2.75Å; Y114-N117 PolarHBondContact O-N 2.74Å; Y114-I118 HydrophobicContact CD1-CD1 3.3Å; Y114-I118 HydrophobicContact CD1-CG1 4.02Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 3.08Å; Y114-I118 HydrophobicContact CE1-CG1 3.8Å; Y114-I118 HydrophobicContact CE2-CD1 4.33Å; Y114-I118 HydrophobicContact CE2-CG1 4.15Å; Y114-I118 HydrophobicContact CG-CD1 4.02Å; Y114-I118 HydrophobicContact CG-CG1 4.28Å; Y114-I118 VanDerWaalsContact O-CG1 3.25Å; Y114-I118 WeakPolarHBondContact O-CG1 3Å; Y114-I118 PolarHBondContact O-N 3.21Å
115M36.7Very low35.6Very low83 Ų83116.7 Ų116.741%0.40960%0.601SS.*Hα-helixtrans-61.2-37.2175.1-73.9-177.774.200112.6V111 K112 F120V111-M115 HydrophobicContact CG1-CG 4.5Å; V111-M115 HydrophobicContact CG1-SD 4.12Å; V111-M115 WeakPolarHBondContact O-CB 3.38Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.43Å; V111-M115 PolarHBondContact O-N 3.25Å; K112-M115 PolarHBondContact O-N 2.81Å; M115-F120 PolarHBondContact O-N 2.71Å
116S41.2Very low35.3Very low74 Ų74118 Ų11852%0.51761%0.611SS.*Hα-helixtrans-68-34.2172.141.80000113.4K112 D113 Y114 G119K112-S116 PolarHBondContact O-N 2.82Å; K112-S116 VanDerWaalsContact O-N 3.08Å; K112-S116 PolarHBondContact O-OG 2.71Å; D113-S116 VanDerWaalsContact C-OG 3.32Å; D113-S116 VanDerWaalsContact CA-OG 3.25Å; D113-S116 WeakPolarHBondContact CA-OG 3.45Å; D113-S116 PolarHBondContact O-N 2.95Å; D113-S116 PolarHBondContact O-OG 2.76Å; Y114-S116 VanDerWaalsContact C-N 3.3Å; Y114-S116 PolarHBondContact O-N 2.75Å; S116-G119 PolarHBondContact O-N 2.85Å
117N42.1Very low34.8Very low140 Ų140118.5 Ų118.575%0.74962%0.617SS**Hα-helixtrans-78.1-29.1-179.6-81.8-8000114D113 Y114 G119D113-N117 WeakPolarHBondContact O-CB 3.29Å; D113-N117 PolarHBondContact O-N 2.85Å; Y114-N117 PolarHBondContact O-N 2.74Å; N117-G119 PolarHBondContact O-N 3.34Å
118I36Very low34.1Very low83 Ų83112.6 Ų112.643%0.42661%0.613SS.*THydrogen-bonded Turntrans-83.713174-36.7154.2000111.6Y114 F120Y114-I118 HydrophobicContact CD1-CD1 3.3Å; Y114-I118 HydrophobicContact CD1-CG1 4.02Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 3.08Å; Y114-I118 HydrophobicContact CE1-CG1 3.8Å; Y114-I118 HydrophobicContact CE2-CD1 4.33Å; Y114-I118 HydrophobicContact CE2-CG1 4.15Å; Y114-I118 HydrophobicContact CG-CD1 4.02Å; Y114-I118 HydrophobicContact CG-CG1 4.28Å; Y114-I118 VanDerWaalsContact O-CG1 3.25Å; Y114-I118 WeakPolarHBondContact O-CG1 3Å; Y114-I118 PolarHBondContact O-N 3.21Å; I118-F120 PolarHBondContact O-N 3.45Å
119G31.2Very low33.5Very low57 Ų57109.6 Ų109.659%0.58861%0.607SS**THydrogen-bonded Turntrans6818.5174.700000114.3S116 N117 K121S116-G119 PolarHBondContact O-N 2.85Å; N117-G119 PolarHBondContact O-N 3.34Å; G119-K121 PolarHBondContact O-N 2.67Å
120F26.9Very low32.9Very low139 Ų139114.7 Ų114.761%0.6163%0.628SS**  trans-71.178.7163.5-87.9-87.2000107.8M115 I118 E122M115-F120 PolarHBondContact O-N 2.71Å; I118-F120 PolarHBondContact O-N 3.45Å; F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 3.4Å
121K34.1Very low32.3Very low175 Ų175114.5 Ų114.576%0.76163%0.625SS**  trans-55.6107.5154.1-77.9179.3177.3177.40104.9G119 V123G119-K121 PolarHBondContact O-N 2.67Å; K121-V123 PolarHBondContact O-N 3.23Å
122E31.9Very low31.9Very low130 Ų130121.4 Ų121.461%0.60764%0.641SS**  trans-45.5105.2156.8-81.3177.115300105.2F120 F124F120-E122 VanDerWaalsContact C-N 3.34Å; F120-E122 PolarHBondContact O-N 3.4Å; E122-F124 HydrophobicContact CB-CD2 3.83Å; E122-F124 HydrophobicContact CB-CE2 3.64Å; E122-F124 HydrophobicContact CB-CZ 4.43Å; E122-F124 HydrophobicContact CG-CE2 4.48Å; E122-F124 WeakPolarHBondContact O-CD2 3.36Å; E122-F124 PolarHBondContact O-N 2.98Å; E122-F124 WeakPolarHBondContact OE2-CE2 3.47Å; E122-F124 WeakPolarHBondContact OE2-CZ 3.26Å
123V27.6Very low31.6Very low101 Ų101124.2 Ų124.261%0.61265%0.653SS**  trans-65.985.2166.8179.40000102.8K121 F125K121-V123 PolarHBondContact O-N 3.23Å; V123-F125 HydrophobicContact CB-CE2 4.18Å; V123-F125 HydrophobicContact CB-CZ 4.38Å; V123-F125 HydrophobicContact CG1-CD1 4.1Å; V123-F125 HydrophobicContact CG1-CD2 4.14Å; V123-F125 HydrophobicContact CG1-CE1 3.93Å; V123-F125 HydrophobicContact CG1-CE2 3.97Å; V123-F125 HydrophobicContact CG1-CG 4.2Å; V123-F125 HydrophobicContact CG1-CZ 3.86Å; V123-F125 WeakPolarHBondContact O-CD2 3.42Å; V123-F125 PolarHBondContact O-N 3.17Å
124F26.6Very low31.2Very low164 Ų164129 Ų12972%0.71967%0.666SS**  trans-6191.3161.2-80.8-83.9000104.3E122 P126E122-F124 HydrophobicContact CB-CD2 3.83Å; E122-F124 HydrophobicContact CB-CE2 3.64Å; E122-F124 HydrophobicContact CB-CZ 4.43Å; E122-F124 HydrophobicContact CG-CE2 4.48Å; E122-F124 WeakPolarHBondContact O-CD2 3.36Å; E122-F124 PolarHBondContact O-N 2.98Å; E122-F124 WeakPolarHBondContact OE2-CE2 3.47Å; E122-F124 WeakPolarHBondContact OE2-CZ 3.26Å; F124-P126 VanDerWaalsContact O-CD 3.28Å; F124-P126 WeakPolarHBondContact O-CD 3.21Å; F124-P126 VanDerWaalsContact O-N 3.11Å
125F26.8Very low30.9Very low130 Ų130125 Ų12557%0.5766%0.659SS**  trans-55.2117.3170-70.6-85.1000105.7V123 S127V123-F125 HydrophobicContact CB-CE2 4.18Å; V123-F125 HydrophobicContact CB-CZ 4.38Å; V123-F125 HydrophobicContact CG1-CD1 4.1Å; V123-F125 HydrophobicContact CG1-CD2 4.14Å; V123-F125 HydrophobicContact CG1-CE1 3.93Å; V123-F125 HydrophobicContact CG1-CE2 3.97Å; V123-F125 HydrophobicContact CG1-CG 4.2Å; V123-F125 HydrophobicContact CG1-CZ 3.86Å; V123-F125 WeakPolarHBondContact O-CD2 3.42Å; V123-F125 PolarHBondContact O-N 3.17Å; F125-S127 PolarHBondContact O-N 3.36Å
126P28.3Very low31Very low105 Ų105125.6 Ų125.668%0.68267%0.669SS**  trans-55.8121.9173.421.3-29.1000106.7F124 G128F124-P126 VanDerWaalsContact O-CD 3.28Å; F124-P126 WeakPolarHBondContact O-CD 3.21Å; F124-P126 VanDerWaalsContact O-N 3.11Å; P126-G128 PolarHBondContact O-N 3.22Å
127S29Very low30.6Very low128 Ų128128.4 Ų128.490%0.89568%0.678SS**THydrogen-bonded Turntrans-38.5105.4177.846.80000110.9F125F125-S127 PolarHBondContact O-N 3.36Å
128G28.3Very low30.2Very low79 Ų79126.4 Ų126.481%0.81467%0.665SS**THydrogen-bonded Turntrans152.3-24.1171.900000116.8P126P126-G128 PolarHBondContact O-N 3.22Å
129S26Very low30.3Very low79 Ų79128.3 Ų128.355%0.55267%0.674SS**  trans-97.6103.5178.353.30000111.6T131S129-T131 PolarHBondContact O-N 3.4Å; S129-T131 VanDerWaalsContact O-N 3.11Å
130Q25.9Very low30.4Very low195 Ų195135.2 Ų135.291%0.91168%0.684SS**  trans-48.5113.5171.9-155.2176.947.500109.7R132Q130-R132 VanDerWaalsContact C-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.11Å
131T30.8Very low30.4Very low96 Ų96135 Ų13559%0.58969%0.689SS**  trans-65.592.1177.627.40000109.2S129 F133S129-T131 PolarHBondContact O-N 3.4Å; S129-T131 VanDerWaalsContact O-N 3.11Å; T131-F133 PolarHBondContact O-N 3.04Å; T131-F133 VanDerWaalsContact O-N 3.11Å
132R27.2Very low30.2Very low235 Ų235132.9 Ų132.989%0.88769%0.686SS**  trans-60.2113.4166.7-140.7-179.9-165.3175.83.9106.6Q130 R134Q130-R132 VanDerWaalsContact C-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.11Å; R132-R134 PolarHBondContact O-N 3.4Å
133F33.7Very low30Very low204 Ų204131.9 Ų131.990%0.89569%0.694SS**  trans-55.2109.7173.5-81.2-90.3000108.2T131 S135T131-F133 PolarHBondContact O-N 3.04Å; T131-F133 VanDerWaalsContact O-N 3.11Å; F133-S135 PolarHBondContact O-N 2.96Å
134R28Very low30.2Very low169 Ų169134.9 Ų134.964%0.63871%0.706SS**  trans-64.6125.1175.5-71.5-158.1173.5-158.40.4108.2R132 E138R132-R134 PolarHBondContact O-N 3.4Å; R134-E138 HydrophobicContact CB-CB 4.26Å; R134-E138 WeakPolarHBondContact CB-OE2 3.45Å; R134-E138 WeakPolarHBondContact CD-OE2 3.28Å; R134-E138 WeakPolarHBondContact CG-OE2 3.15Å; R134-E138 IonicContact NE-OE2 3.66Å
135S31Very low30.6Very low59 Ų59133.1 Ų133.141%0.41371%0.71SS.*  trans-62.1152177.575.40000110.1F133 N137 E138F133-S135 PolarHBondContact O-N 2.96Å; S135-N137 PolarHBondContact O-N 2.92Å; S135-E138 PolarHBondContact O-N 2.99Å
136P37.7Very low30.7Very low95 Ų95129.4 Ų129.462%0.61771%0.709SS**Hα-helixtrans-51.6-28.7-177.8-26.833.5000114.2E138 I139P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 3.32Å; P136-I139 PolarHBondContact O-N 3.33Å
137N33.5Very low30.7Very low133 Ų133136.4 Ų136.471%0.71172%0.722SS**Hα-helixtrans-71.7-22.9179.6-68.3-10.7000113.4S135 I139S135-N137 PolarHBondContact O-N 2.92Å; N137-I139 VanDerWaalsContact C-N 3.29Å
138E33.3Very low31Very low98 Ų98138.7 Ų138.746%0.45872%0.716SS.*Hα-helixtrans-77.9-15.8174.7-72.3-174.9178.900112.8R134 S135 P136 Y140R134-E138 HydrophobicContact CB-CB 4.26Å; R134-E138 WeakPolarHBondContact CB-OE2 3.45Å; R134-E138 WeakPolarHBondContact CD-OE2 3.28Å; R134-E138 WeakPolarHBondContact CG-OE2 3.15Å; R134-E138 IonicContact NE-OE2 3.66Å; S135-E138 PolarHBondContact O-N 2.99Å; P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 3.32Å; E138-Y140 VanDerWaalsContact C-N 3.32Å
139I37.8Very low31.2Very low123 Ų123139 Ų13963%0.63171%0.705SS**Hα-helixtrans-77-24179.1-55.6176.9000110.8P136 N137P136-I139 PolarHBondContact O-N 3.33Å; N137-I139 VanDerWaalsContact C-N 3.29Å
140Y34.6Very low31.9Very low203 Ų203140.7 Ų140.780%0.79672%0.717SS**THydrogen-bonded Turntrans-84-11.2-173.2-93.6-85.4000116.1E138E138-Y140 VanDerWaalsContact C-N 3.32Å
141N26.5Very low32.3Very low133 Ų133137.7 Ų137.771%0.71171%0.707SS**THydrogen-bonded Turntrans-112.123.8-173.7-74.5-23.4000114.9S143N141-S143 PolarHBondContact O-N 3.25Å
142N28.9Very low32.6Very low132 Ų132138.2 Ų138.271%0.70671%0.705SS**  trans-93.588166.9-84.5-12.7000110.6L144N142-L144 PolarHBondContact O-N 3.01Å; N142-L144 VanDerWaalsContact O-N 3.09Å
143S28.4Very low33.2Very low109 Ų109130.8 Ų130.876%0.76269%0.686SS**  trans-74.279170.9-45.90000110.6N141N141-S143 PolarHBondContact O-N 3.25Å
144L31.5Very low33.6Very low164 Ų164126 Ų12686%0.85968%0.676SS**  trans-153147.7161.1-97126.5000111N142N142-L144 PolarHBondContact O-N 3.01Å; N142-L144 VanDerWaalsContact O-N 3.09Å
145P35.1Very low34.5Very low126 Ų126121.9 Ų121.982%0.81867%0.669SS**SBendtrans-90.9129-144.334.4-32.4000112
146G29.5Very low35Very low52 Ų52121 Ų12154%0.53666%0.663SS.*  trans163.258.4174.600000108.5F148G146-F148 WeakPolarHBondContact O-CD2 3.33Å; G146-F148 PolarHBondContact O-N 3.39Å
147R27.6Very low35.4Very low253 Ų253118.9 Ų118.996%0.95565%0.649SS**  trans-54.791.9170.7-85.4-176.1172.5-167.7-1.2108S149R147-S149 PolarHBondContact O-N 2.73Å; R147-S149 VanDerWaalsContact O-N 3.11Å
148F35.4Very low36Very low176 Ų176117.8 Ų117.877%0.77264%0.642SS**  trans-65107.5156.1-68.3-76.6000105G146 S150G146-F148 WeakPolarHBondContact O-CD2 3.33Å; G146-F148 PolarHBondContact O-N 3.39Å; F148-S150 PolarHBondContact O-N 3.44Å; F148-S150 VanDerWaalsContact O-N 3.13Å
149S33.7Very low36.7Very low84 Ų84120.5 Ų120.559%0.58765%0.648SS**  trans-56123.6171.860.40000106.9R147 N151R147-S149 PolarHBondContact O-N 2.73Å; R147-S149 VanDerWaalsContact O-N 3.11Å; S149-N151 PolarHBondContact O-N 3.24Å
150S40.9Very low37.5Very low115 Ų115120 Ų12080%0.80464%0.643SS**THydrogen-bonded Turntrans-68.420.9-169.354.80000114.5F148F148-S150 PolarHBondContact O-N 3.44Å; F148-S150 VanDerWaalsContact O-N 3.13Å
151N33.9Very low38.1Very low133 Ų133115.5 Ų115.571%0.71163%0.63SS**THydrogen-bonded Turntrans-123.220-171.7-72.4-6.8000113.9S149 T153S149-N151 PolarHBondContact O-N 3.24Å; N151-T153 PolarHBondContact O-N 3.19Å; N151-T153 VanDerWaalsContact O-N 3.13Å
152I36.2Very low39.2Very low107 Ų107117.3 Ų117.355%0.54963%0.629SS.*  trans-80.295.7171.5-63.3173.5000108.4V157I152-V157 HydrophobicContact CG2-CG2 3.64Å
153T40.9Very low40.5Very low79 Ų79116.9 Ų116.949%0.48562%0.622SS.*  trans-83.1153.1167.747.80000109.1N151 T155 S156 V157N151-T153 PolarHBondContact O-N 3.19Å; N151-T153 VanDerWaalsContact O-N 3.13Å; T153-T155 PolarHBondContact O-N 2.87Å; T153-S156 PolarHBondContact N-OG 2.96Å; T153-S156 PolarHBondContact O-N 2.88Å; T153-S156 PolarHBondContact O-OG 3Å; T153-V157 PolarHBondContact O-N 3.05Å
154P40.5Very low41.6Very low104 Ų104116.3 Ų116.368%0.67561%0.608SS**Hα-helixtrans-53.5-27176.519.2-31.3000112.5V157 L158P154-V157 PolarHBondContact O-N 3.03Å; P154-L158 PolarHBondContact O-N 3.23Å; P154-L158 VanDerWaalsContact O-N 3.13Å
155T47Very low42.5Very low81 Ų81116.3 Ų116.350%0.49760%0.601SS.*Hα-helixtrans-65.1-36.6172.9-35.20000113.5T153 V157 L158 R159T153-T155 PolarHBondContact O-N 2.87Å; T155-V157 VanDerWaalsContact C-N 3.34Å; T155-L158 PolarHBondContact O-N 3.09Å; T155-R159 WeakPolarHBondContact O-CB 3.14Å; T155-R159 PolarHBondContact O-N 3.05Å
156S42.9Very low43.3Very low41 Ų41113.1 Ų113.129%0.28758%0.579SS.*Hα-helixtrans-70.3-33.8177.566.80000111.7T153 R159 Q160T153-S156 PolarHBondContact N-OG 2.96Å; T153-S156 PolarHBondContact O-N 2.88Å; T153-S156 PolarHBondContact O-OG 3Å; S156-R159 WeakPolarHBondContact O-CB 3.11Å; S156-R159 PolarHBondContact O-N 3.45Å; S156-Q160 PolarHBondContact O-N 2.94Å
157V45.9Very low44.2Very low51 Ų51116.8 Ų116.831%0.30958%0.582SS.*Hα-helixtrans-66-44.6174.1-177.10000110.9I152 T153 P154 T155 R159 Q160 M161I152-V157 HydrophobicContact CG2-CG2 3.64Å; T153-V157 PolarHBondContact O-N 3.05Å; P154-V157 PolarHBondContact O-N 3.03Å; T155-V157 VanDerWaalsContact C-N 3.34Å; V157-R159 VanDerWaalsContact C-N 3.29Å; V157-R159 PolarHBondContact O-N 3.06Å; V157-Q160 PolarHBondContact O-N 2.96Å; V157-M161 PolarHBondContact O-N 2.96Å
158L46.3Very low44.9Very low110 Ų110111.2 Ų111.258%0.57657%0.567SS**Hα-helixtrans-61.4-39173.2-74.2168.1000111.8P154 T155 M161 Y162P154-L158 PolarHBondContact O-N 3.23Å; P154-L158 VanDerWaalsContact O-N 3.13Å; T155-L158 PolarHBondContact O-N 3.09Å; L158-M161 HydrophobicContact CD2-CE 3.65Å; L158-M161 HydrophobicContact CG-CE 4.48Å; L158-M161 PolarHBondContact O-N 3.34Å; L158-Y162 WeakPolarHBondContact O-CB 3.45Å; L158-Y162 PolarHBondContact O-N 3.11Å
159R47.9Very low45.3Very low155 Ų155107.7 Ų107.759%0.58556%0.556SS**Hα-helixtrans-64.7-41.7177.7-150.7-175.8-64.8-1462.6111.4T155 S156 V157 Y162 Q163T155-R159 WeakPolarHBondContact O-CB 3.14Å; T155-R159 PolarHBondContact O-N 3.05Å; S156-R159 WeakPolarHBondContact O-CB 3.11Å; S156-R159 PolarHBondContact O-N 3.45Å; V157-R159 VanDerWaalsContact C-N 3.29Å; V157-R159 PolarHBondContact O-N 3.06Å; R159-Y162 PolarHBondContact O-N 3Å; R159-Q163 WeakPolarHBondContact O-CG 3.39Å; R159-Q163 PolarHBondContact O-N 3.33Å
160Q53.1Low45.8Very low111 Ų111110 Ų11052%0.51956%0.558SS.*Hα-helixtrans-66.3-44.9175.5-171.6177.8-1000111.7S156 V157 Y162 Q163 E164S156-Q160 PolarHBondContact O-N 2.94Å; V157-Q160 PolarHBondContact O-N 2.96Å; Q160-Y162 VanDerWaalsContact C-N 3.27Å; Q160-Y162 PolarHBondContact O-N 2.81Å; Q160-Q163 PolarHBondContact O-N 3.38Å; Q160-Q163 VanDerWaalsContact O-N 3.17Å; Q160-E164 PolarHBondContact NE2-OE1 2.98Å; Q160-E164 PolarHBondContact O-N 3.13Å
161M47.9Very low45.9Very low109 Ų109110.3 Ų110.354%0.53755%0.55SS.*Hα-helixtrans-58.9-39.6174.7-79.4-161.7-64.700112.3V157 L158 K165V157-M161 PolarHBondContact O-N 2.96Å; L158-M161 HydrophobicContact CD2-CE 3.65Å; L158-M161 HydrophobicContact CG-CE 4.48Å; L158-M161 PolarHBondContact O-N 3.34Å; M161-K165 VanDerWaalsContact O-CB 3.31Å; M161-K165 WeakPolarHBondContact O-CB 3.3Å; M161-K165 PolarHBondContact O-N 2.86Å; M161-K165 VanDerWaalsContact O-N 3.08Å
162Y49Very low46Very low172 Ų172108.9 Ų108.968%0.67554%0.542SS*.Hα-helixtrans-67.1-43.9176.4-168.1-96000111.4L158 R159 Q160 K165 T166L158-Y162 WeakPolarHBondContact O-CB 3.45Å; L158-Y162 PolarHBondContact O-N 3.11Å; R159-Y162 PolarHBondContact O-N 3Å; Q160-Y162 VanDerWaalsContact C-N 3.27Å; Q160-Y162 PolarHBondContact O-N 2.81Å; Y162-K165 PolarHBondContact O-N 3.09Å; Y162-T166 PolarHBondContact O-N 2.96Å; Y162-T166 PolarHBondContact O-OG1 2.97Å
163Q56.9Low46Very low122 Ų122108.1 Ų108.157%0.5754%0.542SS*.Hα-helixtrans-62-47.4177.3-77178.4-18.300112.3R159 Q160 K165 T166 Q167R159-Q163 WeakPolarHBondContact O-CG 3.39Å; R159-Q163 PolarHBondContact O-N 3.33Å; Q160-Q163 PolarHBondContact O-N 3.38Å; Q160-Q163 VanDerWaalsContact O-N 3.17Å; Q163-K165 VanDerWaalsContact C-N 3.29Å; Q163-K165 PolarHBondContact O-N 3.02Å; Q163-T166 PolarHBondContact O-N 3.32Å; Q163-Q167 WeakPolarHBondContact O-CB 3.15Å; Q163-Q167 PolarHBondContact O-N 3.44Å
164E52.3Low45.8Very low98 Ų98108.2 Ų108.246%0.45855%0.552SS.*Hα-helixtrans-60.9-39.1177.2-74.4176.3-171.700111.6Q160 Q167 H168Q160-E164 PolarHBondContact NE2-OE1 2.98Å; Q160-E164 PolarHBondContact O-N 3.13Å; E164-Q167 PolarHBondContact O-N 3.15Å; E164-H168 PolarHBondContact O-CD2 3.41Å; E164-H168 PolarHBondContact O-N 2.82Å; E164-H168 VanDerWaalsContact O-N 3.1Å
165K50.1Low45.5Very low164 Ų164105.4 Ų105.471%0.71354%0.541SS*.Hα-helixtrans-67.8-38.6176.9-168.6175-177.91770112.7M161 Y162 Q163 N169M161-K165 VanDerWaalsContact O-CB 3.31Å; M161-K165 WeakPolarHBondContact O-CB 3.3Å; M161-K165 PolarHBondContact O-N 2.86Å; M161-K165 VanDerWaalsContact O-N 3.08Å; Y162-K165 PolarHBondContact O-N 3.09Å; Q163-K165 VanDerWaalsContact C-N 3.29Å; Q163-K165 PolarHBondContact O-N 3.02Å; K165-N169 PolarHBondContact O-N 3.11Å
166T52Low44.9Very low58 Ų58109.9 Ų109.936%0.35655%0.554SS.*Hα-helixtrans-69.2-39.7177.1-26.40000111.2Y162 Q163 H168 N169 E170Y162-T166 PolarHBondContact O-N 2.96Å; Y162-T166 PolarHBondContact O-OG1 2.97Å; Q163-T166 PolarHBondContact O-N 3.32Å; T166-H168 PolarHBondContact O-N 2.89Å; T166-N169 PolarHBondContact O-N 2.9Å; T166-E170 PolarHBondContact O-N 3.26Å
167Q47.1Very low44.4Very low130 Ų130116.9 Ų116.961%0.60758%0.582SS**Hα-helixtrans-67-36.1-179.8-146.1172.719.100112.4Q163 E164 N169 E170 N171Q163-Q167 WeakPolarHBondContact O-CB 3.15Å; Q163-Q167 PolarHBondContact O-N 3.44Å; E164-Q167 PolarHBondContact O-N 3.15Å; Q167-N169 VanDerWaalsContact C-N 3.26Å; Q167-N169 PolarHBondContact O-N 3.06Å; Q167-E170 PolarHBondContact O-N 3.34Å; Q167-N171 PolarHBondContact O-N 2.97Å
168H43.9Very low43.7Very low135 Ų135118.7 Ų118.763%0.62560%0.603SS**Hα-helixtrans-68.3-23.8171.2-87.2-64.1000113.8E164 T166 N172E164-H168 PolarHBondContact O-CD2 3.41Å; E164-H168 PolarHBondContact O-N 2.82Å; E164-H168 VanDerWaalsContact O-N 3.1Å; T166-H168 PolarHBondContact O-N 2.89Å; H168-N172 PolarHBondContact O-N 3.08Å; H168-N172 PolarHBondContact O-ND2 2.97Å
169N43.2Very low42.9Very low102 Ų102120.3 Ų120.355%0.54561%0.61SS.*Hα-helixtrans-81.9-36.3177-151.88.8000111.5K165 T166 Q167 N171 N172 V173K165-N169 PolarHBondContact O-N 3.11Å; T166-N169 PolarHBondContact O-N 2.9Å; Q167-N169 VanDerWaalsContact C-N 3.26Å; Q167-N169 PolarHBondContact O-N 3.06Å; N169-N171 PolarHBondContact O-N 3.03Å; N169-N172 PolarHBondContact O-N 2.87Å; N169-N172 VanDerWaalsContact O-N 3.15Å; N169-V173 WeakPolarHBondContact O-CB 3.25Å; N169-V173 VanDerWaalsContact O-CG2 3.28Å; N169-V173 WeakPolarHBondContact O-CG2 3.25Å; N169-V173 PolarHBondContact O-N 3.23Å
170E44.9Very low42Very low134 Ų134121.6 Ų121.663%0.62662%0.623SS**Hα-helixtrans-64.5-38.9175-72.3-175.2162.200112.2T166 Q167 N172 V173 A174T166-E170 PolarHBondContact O-N 3.26Å; Q167-E170 PolarHBondContact O-N 3.34Å; E170-N172 VanDerWaalsContact C-N 3.28Å; E170-N172 PolarHBondContact O-N 2.77Å; E170-V173 PolarHBondContact O-N 3.14Å; E170-A174 PolarHBondContact O-N 2.86Å
171N43.2Very low40.6Very low121 Ų121121.9 Ų121.965%0.64764%0.637SS**Hα-helixtrans-68.5-25.6174.3-72.5-20.9000113.3Q167 N169Q167-N171 PolarHBondContact O-N 2.97Å; N169-N171 PolarHBondContact O-N 3.03Å
172N36Very low39.5Very low102 Ų102123 Ų12355%0.54565%0.654SS.*Hα-helixtrans-85.3-27.1174.7-93-43000113.4H168 N169 E170H168-N172 PolarHBondContact O-N 3.08Å; H168-N172 PolarHBondContact O-ND2 2.97Å; N169-N172 PolarHBondContact O-N 2.87Å; N169-N172 VanDerWaalsContact O-N 3.15Å; E170-N172 VanDerWaalsContact C-N 3.28Å; E170-N172 PolarHBondContact O-N 2.77Å
173V34.9Very low38.4Very low91 Ų91120.6 Ų120.655%0.55266%0.663SS**Hα-helixtrans-78.3-34.3176.8173.70000110.8N169 E170 G175 K176N169-V173 WeakPolarHBondContact O-CB 3.25Å; N169-V173 VanDerWaalsContact O-CG2 3.28Å; N169-V173 WeakPolarHBondContact O-CG2 3.25Å; N169-V173 PolarHBondContact O-N 3.23Å; E170-V173 PolarHBondContact O-N 3.14Å; V173-G175 PolarHBondContact O-N 2.98Å; V173-K176 PolarHBondContact O-N 3.07Å
174A36.3Very low36.9Very low82 Ų82119.9 Ų119.968%0.67867%0.671SS**THydrogen-bonded Turntrans-65.9-24.8171.800000113.2E170E170-A174 PolarHBondContact O-N 2.86Å
175G35.3Very low35.6Very low45 Ų45122.7 Ų122.746%0.46469%0.689SS.*THydrogen-bonded Turntrans-83.3-5.6-179.100000116V173V173-G175 PolarHBondContact O-N 2.98Å
176K33.3Very low34.4Very low175 Ų175118.4 Ų118.476%0.76169%0.692SS**SBendtrans-1154.2-171.5-71.5-168.5178.3-173.40116.3V173V173-K176 PolarHBondContact O-N 3.07Å
177Q33.3Very low33.2Very low188 Ų188122.3 Ų122.388%0.87972%0.715SS**SBendtrans-108.68.4175.1-79.9-171.3-1.900115.2
178A31Very low32.4Very low89 Ų89122 Ų12274%0.73672%0.724SS**SBendtrans-119.831.4179.400000113.8
179I29.5Very low31.7Very low144 Ų144118.2 Ų118.274%0.73872%0.722SS**  trans-13050.8177-39.1177.7000110.5
180E28Very low31.1Very low181 Ų181118.6 Ų118.685%0.84673%0.73SS**SBendtrans-135.7119.4151.9-77.3-171.5164.700106.5
181S25.2Very low30.3Very low118 Ų118117.7 Ų117.783%0.82574%0.739SS**SBendtrans87.587.3-177.9-40.80000115.6
182C25.2Very low29.8Very low131 Ų131120.4 Ų120.489%0.88575%0.745SS**  176.2117.9119.1-92.20000110.1
183S25Very low29.5Very low123 Ų123120.7 Ų120.786%0.8675%0.752SS**  trans-55.7131.6161.6-61.70000111.2
184S25.8Very low29.3Very low107 Ų107121.4 Ų121.475%0.74877%0.767SS**  175.6123.7126.7510000111.3
185D24.6Very low29Very low157 Ų157123.9 Ų123.984%0.8477%0.765SS**  trans46.987.4144.8-56-31.7000119.5
186G25.5Very low29.1Very low74 Ų74125.4 Ų125.476%0.76377%0.769SS**  58.688116.700000118.3
187V25.1Very low29.4Very low140 Ų140123.8 Ų123.885%0.84877%0.768SS**  trans-124.3109.9142.4-176.60000107.6G189V187-G189 PolarHBondContact O-N 3.29Å
188P31.3Very low29.5Very low122 Ų122118.7 Ų118.779%0.79275%0.753SS**  trans-72.9115.9-17527.5-30.2000110.2
189G28.7Very low29.6Very low56 Ų56119.1 Ų119.158%0.57774%0.74SS**  trans-64.1158164.400000111.1V187 S191V187-G189 PolarHBondContact O-N 3.29Å; G189-S191 PolarHBondContact O-N 3.36Å
190P31.6Very low30Very low111 Ų111116.4 Ų116.472%0.72173%0.73SS**  trans-57.3114.4-170.322.8-32.5000111.1F192P190-F192 WeakPolarHBondContact O-CD2 3.44Å; P190-F192 PolarHBondContact O-N 2.98Å
191S27.6Very low30.2Very low115 Ų115113.2 Ų113.280%0.80472%0.719SS**  trans-71106.8173.1-171.60000108.3G189 P193G189-S191 PolarHBondContact O-N 3.36Å; S191-P193 WeakPolarHBondContact O-CD 3.22Å
192F31.4Very low30.5Very low177 Ų177115.4 Ų115.478%0.77671%0.714SS**  trans-71.4120.5170.2-66.4-86.1000107.8P190 A194P190-F192 WeakPolarHBondContact O-CD2 3.44Å; P190-F192 PolarHBondContact O-N 2.98Å; F192-A194 PolarHBondContact O-N 3.33Å
193P30.2Very low30.9Very low109 Ų109112.4 Ų112.471%0.70870%0.698SS**  trans-60.5133.3176.324.1-31.2000109S191 Q195S191-P193 WeakPolarHBondContact O-CD 3.22Å; P193-Q195 PolarHBondContact O-N 3.31Å
194A31.9Very low31.4Very low105 Ų105112.2 Ų112.287%0.86869%0.687SS**  trans-59.398.9177.500000109.5F192 S196F192-A194 PolarHBondContact O-N 3.33Å; A194-S196 PolarHBondContact O-N 3.01Å; A194-S196 VanDerWaalsContact O-N 3.14Å
195Q30.1Very low31.7Very low135 Ų135110.3 Ų110.363%0.63168%0.678SS**  trans-66.8114.4179.5-68.8-169.8-66.700109.4P193 E199P193-Q195 PolarHBondContact O-N 3.31Å; Q195-E199 VanDerWaalsContact CG-OE2 3.29Å; Q195-E199 WeakPolarHBondContact CG-OE2 3.38Å; Q195-E199 PolarHBondContact NE2-OE2 3.35Å
196S36.6Very low32Very low77 Ų77108.5 Ų108.554%0.53867%0.668SS.*  trans-62.8146.6174.669.30000110.7A194 S198 E199A194-S196 PolarHBondContact O-N 3.01Å; A194-S196 VanDerWaalsContact O-N 3.14Å; S196-S198 PolarHBondContact O-N 3.35Å; S196-E199 PolarHBondContact O-N 3.06Å
197N38.7Very low32.3Very low140 Ų140108.2 Ų108.275%0.74966%0.659SS**THydrogen-bonded Turntrans-52.3-9.3-171.5-72.2-32.5000116.4
198S36.8Very low32.5Very low81 Ų81109.4 Ų109.457%0.56666%0.655SS**Hα-helixtrans-75.9-26175.6670000113.4S196S196-S198 PolarHBondContact O-N 3.35Å
199E32.7Very low32.4Very low99 Ų99108.5 Ų108.546%0.46365%0.647SS.*Hα-helixtrans-80-30.6-177.3-73.2-177.6159.100113Q195 S196 N201 K202 A203Q195-E199 VanDerWaalsContact CG-OE2 3.29Å; Q195-E199 WeakPolarHBondContact CG-OE2 3.38Å; Q195-E199 PolarHBondContact NE2-OE2 3.35Å; S196-E199 PolarHBondContact O-N 3.06Å; E199-N201 PolarHBondContact O-N 2.68Å; E199-K202 PolarHBondContact O-N 2.74Å; E199-A203 PolarHBondContact O-N 2.9Å; E199-A203 VanDerWaalsContact O-N 3.12Å
200V37.3Very low32.4Very low87 Ų87111.1 Ų111.153%0.52765%0.654SS.*Hα-helixtrans-62.8-35.1177.1-172.90000111.1A203 L204V200-A203 PolarHBondContact O-N 3.02Å; V200-L204 PolarHBondContact O-N 2.77Å
201N33Very low32.1Very low114 Ų114110.7 Ų110.761%0.6165%0.653SS**Hα-helixtrans-74.4-26.7-179.6-72-35.1000113.4E199 A205E199-N201 PolarHBondContact O-N 2.68Å; N201-A205 PolarHBondContact O-N 2.88Å
202K32.2Very low32.1Very low164 Ų164109.3 Ų109.371%0.71364%0.64SS**Hα-helixtrans-77.7-34.8171.4-89.1-174.8176.4178.80112.1E199 L204 N206E199-K202 PolarHBondContact O-N 2.74Å; K202-L204 VanDerWaalsContact C-N 3.33Å; K202-N206 PolarHBondContact O-N 3.29Å
203A33.1Very low31.8Very low68 Ų68107 Ų10756%0.56264%0.64SS**Hα-helixtrans-64.8-38.1174.200000111.8E199 V200 N206 A207E199-A203 PolarHBondContact O-N 2.9Å; E199-A203 VanDerWaalsContact O-N 3.12Å; V200-A203 PolarHBondContact O-N 3.02Å; A203-N206 PolarHBondContact O-N 2.96Å; A203-A207 PolarHBondContact O-N 3.3Å
204L34.2Very low31.6Very low118 Ų118111.2 Ų111.262%0.61864%0.642SS**Hα-helixtrans-72.8-34.7-179.4-155.573000113.2V200 K202 N206 A207V200-L204 PolarHBondContact O-N 2.77Å; K202-L204 VanDerWaalsContact C-N 3.33Å; L204-N206 VanDerWaalsContact C-N 3.3Å; L204-N206 PolarHBondContact O-N 2.84Å; L204-A207 PolarHBondContact O-N 3.06Å
205A33.7Very low31.5Very low68 Ų68111.3 Ų111.356%0.56263%0.634SS**Hα-helixtrans-67-31.7175.800000112.6N201N201-A205 PolarHBondContact O-N 2.88Å
206N29.7Very low31.4Very low118 Ų118111.1 Ų111.163%0.63165%0.647SS**Hα-helixtrans-85.4-7.9178.9-72.6-15.5000113.9K202 A203 L204 H208 T209K202-N206 PolarHBondContact O-N 3.29Å; A203-N206 PolarHBondContact O-N 2.96Å; L204-N206 VanDerWaalsContact C-N 3.3Å; L204-N206 PolarHBondContact O-N 2.84Å; N206-H208 PolarHBondContact O-N 3.02Å; N206-T209 PolarHBondContact O-N 2.8Å; N206-T209 PolarHBondContact O-OG1 2.92Å
207A31.9Very low31.1Very low69 Ų69110.7 Ų110.757%0.5766%0.655SS**THydrogen-bonded Turntrans-69.4-11.8175.700000113.3A203 L204A203-A207 PolarHBondContact O-N 3.3Å; L204-A207 PolarHBondContact O-N 3.06Å
208H29.8Very low30.5Very low165 Ų165115.3 Ų115.376%0.76466%0.662SS**THydrogen-bonded Turntrans-91.6-1179.6-71.8-61.6000115.6N206N206-H208 PolarHBondContact O-N 3.02Å
209T29.5Very low29.9Very low102 Ų102115.2 Ų115.263%0.62667%0.674SS**SBendtrans-106.7108.116029.50000107.5N206 S211N206-T209 PolarHBondContact O-N 2.8Å; N206-T209 PolarHBondContact O-OG1 2.92Å; T209-S211 VanDerWaalsContact C-N 3.3Å; T209-S211 PolarHBondContact O-N 2.74Å
210P28Very low29.7Very low112 Ų112116.3 Ų116.373%0.72769%0.691SS**  trans-58.1102.4171.123-30.8000107.5V212P210-V212 PolarHBondContact O-N 2.96Å
211S25.1Very low29.2Very low101 Ų101121.4 Ų121.471%0.70671%0.709SS**  trans-64.289163.2175.40000105.1T209 V213T209-S211 VanDerWaalsContact C-N 3.3Å; T209-S211 PolarHBondContact O-N 2.74Å; S211-V213 PolarHBondContact O-N 2.79Å; S211-V213 WeakPolarHBondContact OG-CG2 3.44Å
212V28.1Very low29.1Very low87 Ų87121.1 Ų121.153%0.52772%0.716SS.*  trans-67.686.6166.71760000104.8P210 R214P210-V212 PolarHBondContact O-N 2.96Å; V212-R214 HydrophobicContact CG1-CB 4.34Å; V212-R214 HydrophobicContact CG1-CG 3.59Å; V212-R214 PolarHBondContact O-N 3.44Å
213V24.6Very low28.8Very low127 Ų127117.6 Ų117.677%0.7772%0.718SS**  trans-66.383.9166.1-178.20000105.5S211S211-V213 PolarHBondContact O-N 2.79Å; S211-V213 WeakPolarHBondContact OG-CG2 3.44Å
214R27.1Very low28.6Very low199 Ų199123.2 Ų123.275%0.75173%0.732SS**  trans-77.7128.9174.1-102161.7-166.6148.93.9107.4V212 S216V212-R214 HydrophobicContact CG1-CB 4.34Å; V212-R214 HydrophobicContact CG1-CG 3.59Å; V212-R214 PolarHBondContact O-N 3.44Å; R214-S216 PolarHBondContact O-N 3.16Å
215P29.5Very low28.2Very low107 Ų107124.4 Ų124.470%0.69574%0.738SS**  trans-52130.2-177.5-23.230.8000110.7G217P215-G217 PolarHBondContact O-N 2.99Å
216S28.5Very low28.1Very low130 Ų130124.5 Ų124.591%0.90974%0.735SS**THydrogen-bonded Turntrans-47.8108.5173.248.30000110R214R214-S216 PolarHBondContact O-N 3.16Å
217G29.2Very low28.6Very low69 Ų69122.9 Ų122.971%0.71174%0.738SS**THydrogen-bonded Turntrans155.6-15.7176.700000116P215P215-G217 PolarHBondContact O-N 2.99Å
218W25.9Very low28.7Very low236 Ų236127.4 Ų127.489%0.89475%0.747SS**  trans-109.986.3178.8-73.471.8000110.4C220W218-C220 PolarHBondContact O-N 3.12Å
219G25.1Very low28.6Very low79 Ų79125 Ų12581%0.81474%0.737SS**  trans-65.5112171.500000110.5
220C27.7Very low28.7Very low122 Ų122123.7 Ų123.782%0.82474%0.736SS**  trans-144.1113158-81.50000106.1W218W218-C220 PolarHBondContact O-N 3.12Å
221Q28Very low29Very low194 Ų194122.7 Ų122.791%0.90773%0.727SS**  trans-48.3137.5179.4-72.8162.8-9.300110.8A223Q221-A223 VanDerWaalsContact C-N 3.35Å; Q221-A223 PolarHBondContact O-N 2.94Å
222S29.5Very low29.4Very low109 Ų109126.1 Ų126.176%0.76273%0.729SS**  trans-5992.6173.448.40000110.2Q224S222-Q224 VanDerWaalsContact C-N 3.29Å; S222-Q224 PolarHBondContact O-N 3.34Å
223A26.8Very low29.5Very low90 Ų90127.8 Ų127.874%0.74474%0.735SS**  trans-71.191.5163.900000107.3Q221 L225Q221-A223 VanDerWaalsContact C-N 3.35Å; Q221-A223 PolarHBondContact O-N 2.94Å; A223-L225 PolarHBondContact O-N 3.46Å
224Q29.7Very low30Very low186 Ų186123.7 Ų123.787%0.86972%0.718SS**  trans-61.1101.4165.8-74.4178.4-79.100107.5S222 S226S222-Q224 VanDerWaalsContact C-N 3.29Å; S222-Q224 PolarHBondContact O-N 3.34Å; Q224-S226 PolarHBondContact O-N 3.1Å
225L26Very low30Very low142 Ų142121.1 Ų121.174%0.74371%0.714SS**  trans-62.1120.6170.1-71.7167.6000108.1A223A223-L225 PolarHBondContact O-N 3.46Å
226S31.4Very low30Very low71 Ų71123.5 Ų123.550%0.49772%0.717SS.*  trans-64.5141179.6760000110.2Q224 Q228 E229Q224-S226 PolarHBondContact O-N 3.1Å; S226-Q228 PolarHBondContact O-N 3.44Å; S226-E229 PolarHBondContact O-N 3.26Å
227A39.8Very low30.1Very low83 Ų83126.9 Ų126.969%0.68671%0.709SS**Hα-helixtrans-55.5-18.7-173.400000114.6
228Q33.9Very low30.3Very low164 Ų164128 Ų12877%0.76670%0.702SS**Hα-helixtrans-70.4-30177.6-82-171.1-2100113.9S226 A230 V231S226-Q228 PolarHBondContact O-N 3.44Å; Q228-A230 VanDerWaalsContact C-N 3.35Å; Q228-V231 PolarHBondContact O-N 3.44Å
229E27.9Very low30.4Very low116 Ų116125 Ų12554%0.54270%0.698SS.*Hα-helixtrans-73.5-28.5178.8-83.4-177.9144.200112.6S226 V231 K232S226-E229 PolarHBondContact O-N 3.26Å; E229-V231 PolarHBondContact O-N 3.02Å; E229-K232 PolarHBondContact O-N 3.23Å
230A31.8Very low30.9Very low73 Ų73128.3 Ų128.360%0.60369%0.693SS**Hα-helixtrans-65.4-28.2175.100000112.7Q228Q228-A230 VanDerWaalsContact C-N 3.35Å
231V33.5Very low31.1Very low91 Ų91127.5 Ų127.555%0.55268%0.68SS**Hα-helixtrans-76-35.4-179.6-179.10000111.8Q228 E229 L233 G234Q228-V231 PolarHBondContact O-N 3.44Å; E229-V231 PolarHBondContact O-N 3.02Å; V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 3.48Å; V231-G234 PolarHBondContact O-N 2.89Å
232K32.9Very low31.1Very low173 Ų173124 Ų12475%0.75267%0.667SS**Hα-helixtrans-64-33178.4-82.8-177175.3179.30112.8E229 G234E229-K232 PolarHBondContact O-N 3.23Å; K232-G234 VanDerWaalsContact C-N 3.29Å; K232-G234 PolarHBondContact O-N 3.38Å
233L31.2Very low31.2Very low122 Ų122127.5 Ų127.564%0.63966%0.664SS**Hα-helixtrans-74.3-18.1175.1-75.7166.7000113.6V231V231-L233 VanDerWaalsContact C-N 3.29Å; V231-L233 PolarHBondContact O-N 3.48Å
234G34.9Very low31.5Very low41 Ų41130.6 Ų130.642%0.42366%0.656SS.*Hα-helixtrans-72.7-33.7175.100000113.4V231 K232V231-G234 PolarHBondContact O-N 2.89Å; K232-G234 VanDerWaalsContact C-N 3.29Å; K232-G234 PolarHBondContact O-N 3.38Å
235H27.4Very low31.4Very low145 Ų145127.2 Ų127.267%0.67165%0.648SS**Hα-helixtrans-80.8-26.9-175.4-7525.9000113.3R237 V238H235-R237 PolarHBondContact O-N 2.97Å; H235-V238 PolarHBondContact O-N 3.25Å
236Q29.2Very low31.6Very low158 Ų158125 Ų12574%0.73865%0.651SS**THydrogen-bonded Turntrans-72.3-13.7179.1-152.5172.524.400113.6
237R30.1Very low31.5Very low200 Ų200125 Ų12576%0.75566%0.661SS**THydrogen-bonded Turntrans-88.5-14175.6-75.9-171.1-175.8170.83.3114.6H235H235-R237 PolarHBondContact O-N 2.97Å
238V33.5Very low31.1Very low94 Ų94130.9 Ų130.957%0.5768%0.675SS**THydrogen-bonded Turntrans-77.6-32.3-177.4-179.20000111.7H235 Q240 D241H235-V238 PolarHBondContact O-N 3.25Å; V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.01Å; V238-D241 PolarHBondContact O-N 3.44Å
239E28.9Very low30.8Very low172 Ų172131.3 Ų131.380%0.80468%0.677SS**G310 helixtrans-73.2-22.5179.9-69.5-146.1147.600114.1D241E239-D241 VanDerWaalsContact C-N 3.26Å; E239-D241 PolarHBondContact O-N 2.94Å
240Q34.7Very low30.9Very low149 Ų149131.3 Ų131.370%0.69669%0.69SS**G310 helixtrans-76.2-7.8178.4-103.2-174-4.100114.4V238 W243V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.01Å; Q240-W243 PolarHBondContact O-NE1 2.81Å
241D31.3Very low30.7Very low105 Ų105132.8 Ų132.856%0.56169%0.692SS**G310 helixtrans-107.7-4.1-177.9-80.2-25.9000114.3V238 E239 W243 R244V238-D241 PolarHBondContact O-N 3.44Å; E239-D241 VanDerWaalsContact C-N 3.26Å; E239-D241 PolarHBondContact O-N 2.94Å; D241-W243 VanDerWaalsContact C-N 3.29Å; D241-W243 PolarHBondContact O-N 3.04Å; D241-R244 PolarHBondContact O-N 3.34Å; D241-R244 VanDerWaalsContact O-N 3.15Å
242N29.1Very low30.4Very low119 Ų119133.9 Ų133.964%0.63670%0.703SS**THydrogen-bonded Turntrans-74.1-8.8-178.1-91.8-2.4000115.2R244N242-R244 PolarHBondContact O-N 3.12Å
243W31.5Very low30Very low183 Ų183135 Ų13569%0.69370%0.704SS**THydrogen-bonded Turntrans-80.5-3169.557.4-81.4000113.1Q240 D241Q240-W243 PolarHBondContact O-NE1 2.81Å; D241-W243 VanDerWaalsContact C-N 3.29Å; D241-W243 PolarHBondContact O-N 3.04Å
244R32Very low29.6Very low155 Ų155134.7 Ų134.759%0.58571%0.712SS**SBendtrans-110.90.1-177.8-70.2-174.2172.6-128.30.9115.2D241 N242D241-R244 PolarHBondContact O-N 3.34Å; D241-R244 VanDerWaalsContact O-N 3.15Å; N242-R244 PolarHBondContact O-N 3.12Å
245T28.8Very low29.3Very low115 Ų115138 Ų13871%0.70672%0.724SS**  trans-117.459.8178.130.60000112.2
246A29Very low29.2Very low97 Ų97142 Ų14280%0.80273%0.733SS**SBendtrans-104.5105.1158.200000109.1
247G29.2Very low29.5Very low69 Ų69142.7 Ų142.771%0.71173%0.734SS**  trans60.7105.2152.600000118Q249G247-Q249 VanDerWaalsContact C-N 3.34Å; G247-Q249 PolarHBondContact O-N 2.95Å
248Q31.3Very low29.6Very low208 Ų208137.5 Ų137.597%0.97273%0.726SS**  trans-54.592.3158.4-68.8177.1-18.200110.6
249Q28.1Very low30.1Very low172 Ų172144.3 Ų144.380%0.80474%0.742SS**  trans-104.9108.4160-72.4-164.8-5.600108.4G247 T251G247-Q249 VanDerWaalsContact C-N 3.34Å; G247-Q249 PolarHBondContact O-N 2.95Å; Q249-T251 VanDerWaalsContact C-N 3.35Å; Q249-T251 PolarHBondContact O-N 3.39Å
250S30Very low30.3Very low117 Ų117143.6 Ų143.682%0.81874%0.744SS**  trans-71.388.2175.159.20000109.8S252S250-S252 PolarHBondContact O-N 3.08Å
251T27.1Very low30.3Very low104 Ų104139.8 Ų139.864%0.63873%0.727SS**  trans-69.993.8166.441.50000109Q249Q249-T251 VanDerWaalsContact C-N 3.35Å; Q249-T251 PolarHBondContact O-N 3.39Å
252S27.8Very low30.4Very low114 Ų114138 Ų13880%0.79772%0.721SS**  trans-89.8116.7168.660.40000109S250S250-S252 PolarHBondContact O-N 3.08Å
253Y24.4Very low31.3Very low196 Ų196136.9 Ų136.977%0.76972%0.72SS**  trans-91.7123175.8-67.3-89.4000109.1V255Y253-V255 PolarHBondContact O-N 3.22Å
254S24.1Very low31.8Very low115 Ų115136.3 Ų136.380%0.80473%0.725SS**  trans-74.8102.9174.7-174.80000109.8R256S254-R256 PolarHBondContact O-N 2.96Å
255V28.3Very low31.8Very low110 Ų110132.9 Ų132.967%0.66772%0.724SS**  trans-76.699.8173.3-176.10000108.4Y253 F257Y253-V255 PolarHBondContact O-N 3.22Å; V255-F257 PolarHBondContact O-N 3.27Å
256R25.6Very low31.8Very low231 Ų231135 Ų13587%0.87272%0.719SS**  trans-68.4112.8169.9-78.3-174179.3-179.81.5109.2S254S254-R256 PolarHBondContact O-N 2.96Å
257F33.8Very low32.1Very low171 Ų171135.8 Ų135.875%0.7572%0.717SS**  trans-68.2133.7174.5-80.7-93000111V255 R259V255-F257 PolarHBondContact O-N 3.27Å; F257-R259 PolarHBondContact O-N 3.42Å
258P33.9Very low32.2Very low92 Ų92142.4 Ų142.460%0.59773%0.726SS**  trans-65.3121.6179.623.6-30.6000110.7N260 I261P258-N260 PolarHBondContact O-N 3.29Å; P258-N260 VanDerWaalsContact O-N 3.12Å; P258-I261 HydrophobicContact CG-CD1 4.36Å
259R42.5Very low32.2Very low236 Ų236136 Ų13689%0.89172%0.716SS**SBendtrans-67.9-6.2-173.2-78.4-176.2173.8-178.8-2.2115.5F257F257-R259 PolarHBondContact O-N 3.42Å
260N33Very low32.1Very low158 Ų158133.6 Ų133.685%0.84571%0.713SS**  trans-114.144.2-171.6-71.6-26.2000113.7P258 P262P258-N260 PolarHBondContact O-N 3.29Å; P258-N260 VanDerWaalsContact O-N 3.12Å; N260-P262 WeakPolarHBondContact O-CD 3.45Å
261I35.7Very low32Very low68 Ų68133.2 Ų133.235%0.34971%0.707SS.*  trans-94114.5167.7-55.7176.9000108.2P258 C265 R266P258-I261 HydrophobicContact CG-CD1 4.36Å; I261-C265 HydrophobicContact CG2-CB 3.67Å; I261-R266 HydrophobicContact CG2-CG 4.25Å
262P34Very low32Very low68 Ų68134.4 Ų134.444%0.44271%0.714SS.*  trans-52.2139.7173.7-23.131.8000110.1N260 Q264 C265N260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-Q264 HydrophobicContact CB-CG 4.28Å; P262-Q264 PolarHBondContact O-N 2.98Å; P262-C265 PolarHBondContact O-N 3.13Å
263P46.3Very low32Very low95 Ų95136.6 Ų136.662%0.61772%0.716SS**G310 helixtrans-55.5-31.6-171.517.2-28.9000113.7C265 R266P263-C265 PolarHBondContact O-N 3.47Å; P263-R266 PolarHBondContact O-N 3.18Å; P263-R266 VanDerWaalsContact O-N 3.16Å
264Q43.5Very low32.1Very low171 Ų171138.3 Ų138.380%0.79972%0.721SS**G310 helixtrans-64.6-15174.558-124.726.600115.4P262P262-Q264 HydrophobicContact CB-CG 4.28Å; P262-Q264 PolarHBondContact O-N 2.98Å
265C30.9Very low32.2Very low83 Ų83137.3 Ų137.356%0.56172%0.72SS**G310 helixtrans-107.96.5177.6-61.10000112.6I261 P262 P263 P267I261-C265 HydrophobicContact CG2-CB 3.67Å; P262-C265 PolarHBondContact O-N 3.13Å; P263-C265 PolarHBondContact O-N 3.47Å; C265-P267 WeakPolarHBondContact O-CD 3.31Å
266R30.1Very low32Very low159 Ų159139.7 Ų139.760%0.672%0.724SS**SBendtrans-77.6112.6174.7-69.4-176.6-172.6-175.21.9108.1I261 P263 F268I261-R266 HydrophobicContact CG2-CG 4.25Å; P263-R266 PolarHBondContact O-N 3.18Å; P263-R266 VanDerWaalsContact O-N 3.16Å; R266-F268 PolarHBondContact O-N 2.78Å
267P35.2Very low32.1Very low115 Ų115134.3 Ų134.375%0.74772%0.719SS**  trans-58.7127.7173.423.6-30.4000107.9C265 G269C265-P267 WeakPolarHBondContact O-CD 3.31Å; P267-G269 PolarHBondContact O-N 2.8Å
268F31.2Very low31.7Very low208 Ų208135.5 Ų135.591%0.91272%0.724SS**  trans-49.9110.4175.8-83.2-93000108.3R266 V270R266-F268 PolarHBondContact O-N 2.78Å; F268-V270 PolarHBondContact O-N 3.14Å
269G29.9Very low31.4Very low73 Ų73139.8 Ų139.875%0.75374%0.735SS**  trans-60.3107.7-179.200000108.7P267P267-G269 PolarHBondContact O-N 2.8Å
270V26.7Very low30.9Very low122 Ų122134 Ų13474%0.73973%0.728SS**  trans-58.8122.6169.51790000106.4F268 V272F268-V270 PolarHBondContact O-N 3.14Å; V270-V272 PolarHBondContact O-N 3.14Å
271P27.5Very low30.6Very low108 Ų108135.5 Ų135.570%0.70173%0.73SS**  trans-62.6105.7-179.323.2-30.1000108.3L273P271-L273 VanDerWaalsContact C-N 3.29Å; P271-L273 PolarHBondContact O-N 3.47Å
272V28.4Very low30.1Very low129 Ų129138.3 Ų138.378%0.78275%0.75SS**  trans-69.695.5170.5179.50000105.7V270 R274V270-V272 PolarHBondContact O-N 3.14Å; V272-R274 PolarHBondContact O-N 3.44Å
273L26.1Very low29.7Very low160 Ų160143.2 Ų143.284%0.83877%0.767SS**  trans-58.195.9165.4-69171.4000106.5P271 A275P271-L273 VanDerWaalsContact C-N 3.29Å; P271-L273 PolarHBondContact O-N 3.47Å; L273-A275 VanDerWaalsContact C-N 3.29Å; L273-A275 PolarHBondContact O-N 3.37Å
274R27.7Very low28.6Very low232 Ų232148.3 Ų148.388%0.87578%0.78SS**  trans-57.498.6168.2-96.1-174.6176.5169.6-1.2106.6V272 Q276V272-R274 PolarHBondContact O-N 3.44Å; R274-Q276 VanDerWaalsContact C-N 3.27Å; R274-Q276 PolarHBondContact O-N 2.84Å
275A25.2Very low27.8Very low95 Ų95145.7 Ų145.779%0.78578%0.775SS**  trans-64.594.3164.700000107L273L273-A275 VanDerWaalsContact C-N 3.29Å; L273-A275 PolarHBondContact O-N 3.37Å
276Q24.9Very low27.5Very low160 Ų160147.5 Ų147.575%0.74879%0.789SS**  trans-56.1125.6162.8-86.3-83.43.900107.5R274 K278R274-Q276 VanDerWaalsContact C-N 3.27Å; R274-Q276 PolarHBondContact O-N 2.84Å; Q276-K278 PolarHBondContact O-N 2.82Å
277P27.4Very low27.3Very low118 Ų118144.4 Ų144.477%0.76679%0.792SS**  trans-70.695.8-176.128.2-32.3000109.1
278K25.9Very low26.9Very low196 Ų196148.2 Ų148.285%0.85280%0.799SS**  trans-81.4123.6166.1-78.3-174.7175.6-179.20108.4Q276Q276-K278 PolarHBondContact O-N 2.82Å
279H27.4Very low26.7Very low182 Ų182147.5 Ų147.584%0.84380%0.796SS**  trans-47.9136.2175.7-117.1-93.5000110.7Q281H279-Q281 PolarHBondContact O-N 3.33Å
280P31Very low26.5Very low113 Ų113147.4 Ų147.473%0.73480%0.795SS**  trans-71.495.9-172.828.1-32.8000110.1V282P280-V282 PolarHBondContact O-N 2.82Å
281Q27.3Very low26.4Very low191 Ų191146.1 Ų146.189%0.89380%0.797SS**  trans-76.8114.4161.2-107.3-177.2-9.800108.3H279 Q283H279-Q281 PolarHBondContact O-N 3.33Å; Q281-Q283 PolarHBondContact O-N 3.18Å
282V26.3Very low26.2Very low126 Ų126147 Ų14776%0.76480%0.8SS**  trans-6194-179.4-1790000109.6P280 K284P280-V282 PolarHBondContact O-N 2.82Å; V282-K284 HydrophobicContact CG1-CG 4.35Å
283Q24.3Very low26Very low172 Ų172148.1 Ų148.180%0.80480%0.801SS**  trans-101.7110.6155.9-86.1-171.6-2.600108.5Q281 T285Q281-Q283 PolarHBondContact O-N 3.18Å; Q283-T285 PolarHBondContact O-N 3.28Å
284K23.7Very low26.1Very low202 Ų202146.3 Ų146.388%0.87880%0.796SS**  trans-65.893.1171.7-68174.2177.2177.30108.3V282V282-K284 HydrophobicContact CG1-CG 4.35Å
285T27.7Very low25.9Very low115 Ų115145.9 Ų145.971%0.70679%0.794SS**  trans-108.2108.5160.959.50000108Q283 S287Q283-T285 PolarHBondContact O-N 3.28Å; T285-S287 PolarHBondContact O-N 3.43Å
286S24.2Very low26Very low122 Ų122148 Ų14885%0.85379%0.793SS**  trans-56.498.3170.550.30000110.4
287S26.2Very low26.1Very low94 Ų94147.6 Ų147.666%0.65780%0.796SS**  trans-157.1107.1159.1-1710000107.4T285 K289T285-S287 PolarHBondContact O-N 3.43Å; S287-K289 VanDerWaalsContact C-N 3.26Å; S287-K289 PolarHBondContact O-N 2.96Å
288H25.2Very low25.9Very low195 Ų195148.6 Ų148.690%0.90379%0.794SS**  trans-67.277.4-176.9-61.9-88.8000110.9
289K27.2Very low25.9Very low193 Ų193144 Ų14484%0.83978%0.784SS**  trans-99.690.3158.1-76.2-173.2178-1780107.1S287 A291S287-K289 VanDerWaalsContact C-N 3.26Å; S287-K289 PolarHBondContact O-N 2.96Å; K289-A291 PolarHBondContact O-N 2.91Å
290G25.5Very low25.9Very low71 Ų71140.6 Ų140.673%0.73278%0.776SS**  trans-57.1109.1178.200000110.5V292G290-V292 PolarHBondContact O-N 3.19Å; G290-V292 VanDerWaalsContact O-N 3.09Å
291A25Very low25.7Very low94 Ų94143.3 Ų143.378%0.77778%0.777SS**  trans-65.5101.9162.900000107.6K289 L293K289-A291 PolarHBondContact O-N 2.91Å; A291-L293 PolarHBondContact O-N 2.76Å
292V23.9Very low25.9Very low128 Ų128141.6 Ų141.678%0.77677%0.774SS**  trans-73.197.3172.1178.10000107.4G290 V294G290-V292 PolarHBondContact O-N 3.19Å; G290-V292 VanDerWaalsContact O-N 3.09Å; V292-V294 HydrophobicContact CG1-CG2 4.37Å; V292-V294 PolarHBondContact O-N 3.13Å
293L23.9Very low26.1Very low152 Ų152139.1 Ų139.180%0.79676%0.759SS**  trans-72.6103.8171.1-146.8106.5000107.7A291 R295A291-L293 PolarHBondContact O-N 2.76Å; L293-R295 PolarHBondContact O-N 3Å
294V27.4Very low26.5Very low122 Ų122132.3 Ų132.374%0.73974%0.735SS**  trans-73.494-179.5-179.90000109.2V292V292-V294 HydrophobicContact CG1-CG2 4.37Å; V292-V294 PolarHBondContact O-N 3.13Å
295R25.4Very low27Very low222 Ų222129.5 Ų129.584%0.83873%0.728SS**  trans-88.3107.2160.1-105.3179.5167.2171.5-4.5107.3L293L293-R295 PolarHBondContact O-N 3Å
296N26.7Very low27.3Very low141 Ų141128 Ų12875%0.75472%0.723SS**SBendtrans168.5116.5144-82.6-16.9000108.4L298N296-L298 PolarHBondContact O-N 3.13Å
297N25.9Very low27.7Very low151 Ų151128 Ų12881%0.80771%0.709SS**  trans-64.263.6-173.1-64.9-44.4000114.4
298L24.3Very low28.1Very low139 Ų139130.5 Ų130.573%0.72871%0.705SS**  trans-99.4127.9154.1-72.4166.5000106.2N296 T300N296-L298 PolarHBondContact O-N 3.13Å; L298-T300 PolarHBondContact O-N 3.34Å
299P25.7Very low28.5Very low100 Ų100130 Ų13065%0.64970%0.696SS**  trans-66.386.4171.828.2-31.1000107.2F301P299-F301 HydrophobicContact CB-CD2 4.42Å; P299-F301 HydrophobicContact CB-CE2 4.06Å; P299-F301 HydrophobicContact CB-CZ 4.48Å; P299-F301 HydrophobicContact CG-CE2 4.21Å; P299-F301 WeakPolarHBondContact O-CD2 3.48Å; P299-F301 PolarHBondContact O-N 3.43Å
300T27.2Very low28.8Very low110 Ų110126 Ų12668%0.67568%0.683SS**  trans-64.291.2157.734.80000104.7L298 D302L298-T300 PolarHBondContact O-N 3.34Å; T300-D302 PolarHBondContact O-N 3.44Å
301F27.8Very low28.9Very low169 Ų169127.5 Ų127.574%0.74167%0.672SS**  trans-56.398.9156.8-64.3-87.4000104.5P299 V303P299-F301 HydrophobicContact CB-CD2 4.42Å; P299-F301 HydrophobicContact CB-CE2 4.06Å; P299-F301 HydrophobicContact CB-CZ 4.48Å; P299-F301 HydrophobicContact CG-CE2 4.21Å; P299-F301 WeakPolarHBondContact O-CD2 3.48Å; P299-F301 PolarHBondContact O-N 3.43Å; F301-V303 HydrophobicContact CB-CG2 3.73Å; F301-V303 PolarHBondContact O-N 3.37Å
302D31.5Very low29.6Very low156 Ų156129.3 Ų129.383%0.83467%0.668SS**  trans-63.766.5158.9-99.2-24.3000106.3T300 G304T300-D302 PolarHBondContact O-N 3.44Å; D302-G304 PolarHBondContact O-N 2.76Å
303V29.7Very low30Very low74 Ų74129.4 Ų129.445%0.44866%0.662SS.*  trans-70.275154.4-1670000102.9F301 L305 Q307F301-V303 HydrophobicContact CB-CG2 3.73Å; F301-V303 PolarHBondContact O-N 3.37Å; V303-L305 PolarHBondContact O-N 3.47Å; V303-Q307 HydrophobicContact CG1-CB 4.08Å
304G32.1Very low30.4Very low29 Ų29127.4 Ų127.430%0.29965%0.649SS.*  trans-47.2131.7-177.100000107.1D302 S306 Q307D302-G304 PolarHBondContact O-N 2.76Å; G304-S306 CarbonylContact O-C 3.55Å; G304-S306 PolarHBondContact O-N 3.24Å; G304-S306 PolarHBondContact O-OG 3.46Å; G304-Q307 PolarHBondContact O-N 2.81Å
305L34.4Very low31Very low142 Ų142126.8 Ų126.874%0.74365%0.647SS**Hα-helixtrans-49.5-14.8-177-78.9158.9000113.5V303 Y308 R309V303-L305 PolarHBondContact O-N 3.47Å; L305-Y308 PolarHBondContact O-N 3.29Å; L305-R309 WeakPolarHBondContact O-CB 3.43Å; L305-R309 PolarHBondContact O-N 3.45Å
306S33.8Very low31.7Very low84 Ų84123.9 Ų123.959%0.58764%0.643SS**Hα-helixtrans-57.4-40.4165.756.40000113.8G304 N310G304-S306 CarbonylContact O-C 3.55Å; G304-S306 PolarHBondContact O-N 3.24Å; G304-S306 PolarHBondContact O-OG 3.46Å; S306-N310 WeakPolarHBondContact O-CB 3.29Å; S306-N310 VanDerWaalsContact O-CG 3.24Å; S306-N310 PolarHBondContact O-N 3.17Å
307Q34.1Very low31.6Very low123 Ų123121.5 Ų121.558%0.57563%0.628SS**Hα-helixtrans-71.7-40.7174.6-103.9179.91.200112.2V303 G304 R309 N310 M311V303-Q307 HydrophobicContact CG1-CB 4.08Å; G304-Q307 PolarHBondContact O-N 2.81Å; Q307-R309 VanDerWaalsContact C-N 3.29Å; Q307-R309 PolarHBondContact O-N 2.98Å; Q307-N310 PolarHBondContact O-N 2.84Å; Q307-M311 PolarHBondContact O-N 3.08Å
308Y33.6Very low31.9Very low145 Ų145117.9 Ų117.957%0.56962%0.62SS**Hα-helixtrans-64.8-37.5176.2-152.5-91.7000111.3L305 M311 L312L305-Y308 PolarHBondContact O-N 3.29Å; Y308-M311 HydrophobicContact CD2-CE 4.32Å; Y308-L312 HydrophobicContact CD1-CD1 4.05Å; Y308-L312 HydrophobicContact CE1-CD1 3.82Å; Y308-L312 PolarHBondContact O-N 3.31Å
309R33.1Very low32.3Very low186 Ų186117.5 Ų117.570%0.70261%0.614SS**Hα-helixtrans-71.3-33.9175.8-156.3173.7-175.3172.20.9112.4L305 Q307 M313L305-R309 WeakPolarHBondContact O-CB 3.43Å; L305-R309 PolarHBondContact O-N 3.45Å; Q307-R309 VanDerWaalsContact C-N 3.29Å; Q307-R309 PolarHBondContact O-N 2.98Å; R309-M313 WeakPolarHBondContact O-CG 3.48Å; R309-M313 PolarHBondContact O-N 2.97Å
310N33.4Very low32.6Very low109 Ų109119.9 Ų119.958%0.58362%0.617SS**Hα-helixtrans-73.2-36.3175.7-76.6-7.9000112.9S306 Q307 L312 M313 Q314S306-N310 WeakPolarHBondContact O-CB 3.29Å; S306-N310 VanDerWaalsContact O-CG 3.24Å; S306-N310 PolarHBondContact O-N 3.17Å; Q307-N310 PolarHBondContact O-N 2.84Å; N310-L312 VanDerWaalsContact C-N 3.3Å; N310-L312 PolarHBondContact O-N 3.39Å; N310-M313 PolarHBondContact O-N 2.96Å; N310-Q314 PolarHBondContact O-N 3.33Å; N310-Q314 VanDerWaalsContact O-N 3.08Å
311M28.5Very low32.6Very low101 Ų101123 Ų12350%0.49862%0.617SS.*Hα-helixtrans-63.7-37.9172.9-78.9-164.2-65.500112Q307 Y308 M313Q307-M311 PolarHBondContact O-N 3.08Å; Y308-M311 HydrophobicContact CD2-CE 4.32Å; M311-M313 PolarHBondContact O-N 2.9Å
312L38.8Very low32.5Very low132 Ų132124.4 Ų124.469%0.69162%0.618SS**Hα-helixtrans-70.1-20.7176.9-116.9130.9000113.4Y308 N310Y308-L312 HydrophobicContact CD1-CD1 4.05Å; Y308-L312 HydrophobicContact CE1-CD1 3.82Å; Y308-L312 PolarHBondContact O-N 3.31Å; N310-L312 VanDerWaalsContact C-N 3.3Å; N310-L312 PolarHBondContact O-N 3.39Å
313M32.3Very low32.4Very low131 Ų131125 Ų12565%0.64561%0.613SS**Hα-helixtrans-99.9-10.6-179.1-69.9-65.2-169.700114.2R309 N310 M311R309-M313 WeakPolarHBondContact O-CG 3.48Å; R309-M313 PolarHBondContact O-N 2.97Å; N310-M313 PolarHBondContact O-N 2.96Å; M311-M313 PolarHBondContact O-N 2.9Å
314Q33.8Very low32.6Very low110 Ų110126.7 Ų126.751%0.51463%0.626SS.*  trans-128.194.2177.6-76.1-172.33.600112.1N310 Q316 M317N310-Q314 PolarHBondContact O-N 3.33Å; N310-Q314 VanDerWaalsContact O-N 3.08Å; Q314-Q316 PolarHBondContact O-N 3.44Å; Q314-M317 PolarHBondContact O-N 2.89Å; Q314-M317 VanDerWaalsContact O-N 3.11Å
315P38.9Very low32.3Very low109 Ų109132.8 Ų132.871%0.70865%0.646SS**THydrogen-bonded Turntrans-60.7-13.1175.820.2-29.9000114.3M317 A318P315-M317 VanDerWaalsContact C-N 3.35Å; P315-A318 PolarHBondContact O-N 3.11Å
316Q39.5Very low31.9Very low161 Ų161131.5 Ų131.575%0.75265%0.647SS**THydrogen-bonded Turntrans-70.2-27.1175-75.2179.1-14.700113.4Q314 A318 Q319Q314-Q316 PolarHBondContact O-N 3.44Å; Q316-A318 VanDerWaalsContact C-N 3.35Å; Q316-Q319 PolarHBondContact O-N 2.93Å
317M26.3Very low31.5Very low90 Ų90136.2 Ų136.244%0.44366%0.658SS.*G310 helixtrans-75.6-23.8177.5-72.3-74.1172.400112.6Q314 P315 Q319 Q320Q314-M317 PolarHBondContact O-N 2.89Å; Q314-M317 VanDerWaalsContact O-N 3.11Å; P315-M317 VanDerWaalsContact C-N 3.35Å; M317-Q319 PolarHBondContact O-N 2.8Å; M317-Q320 PolarHBondContact O-N 2.74Å
318A32.4Very low31.4Very low76 Ų76136.6 Ų136.663%0.62867%0.671SS**G310 helixtrans-67.8-21.5175.800000112.7P315 Q316P315-A318 PolarHBondContact O-N 3.11Å; Q316-A318 VanDerWaalsContact C-N 3.35Å
319Q31.7Very low31Very low130 Ų130133.1 Ų133.161%0.60768%0.679SS**G310 helixtrans-79.7-22.9178.6-68.5-168.2-10.400113.7Q316 M317 Y321 R322Q316-Q319 PolarHBondContact O-N 2.93Å; M317-Q319 PolarHBondContact O-N 2.8Å; Q319-Y321 PolarHBondContact O-N 3.23Å; Q319-R322 PolarHBondContact O-N 3.09Å
320Q31.6Very low30.7Very low151 Ų151134.2 Ų134.271%0.70668%0.684SS**THydrogen-bonded Turntrans-73.2-14.9177.6-82-174.1-27.300113.3M317 R322M317-Q320 PolarHBondContact O-N 2.74Å; Q320-R322 VanDerWaalsContact C-N 3.28Å; Q320-R322 PolarHBondContact O-N 3.39Å
321Y28.2Very low30.4Very low175 Ų175136.3 Ų136.369%0.68670%0.695SS**THydrogen-bonded Turntrans-91.121.3173.4-73.8-83000113.7Q319 F323Q319-Y321 PolarHBondContact O-N 3.23Å; Y321-F323 PolarHBondContact O-N 3.35Å
322R26Very low30.4Very low199 Ų199136.6 Ų136.675%0.75170%0.704SS**  trans-74.576160.4-77.1-172.2175.3169.7-1.1109.4Q319 Q320 P324Q319-R322 PolarHBondContact O-N 3.09Å; Q320-R322 VanDerWaalsContact C-N 3.28Å; Q320-R322 PolarHBondContact O-N 3.39Å; R322-P324 WeakPolarHBondContact O-CD 3.34Å
323F27.6Very low30Very low169 Ų169136.4 Ų136.474%0.74171%0.711SS**  trans-81.9113.7159-81.6-81.9000108.1Y321 H325Y321-F323 PolarHBondContact O-N 3.35Å; F323-H325 PolarHBondContact O-N 3.31Å; F323-H325 VanDerWaalsContact O-N 3.1Å
324P34.1Very low29.9Very low109 Ų109139.2 Ų139.271%0.70872%0.72SS**  trans-8755.7-179.736.4-33.7000110.5R322R322-P324 WeakPolarHBondContact O-CD 3.34Å
325H26.7Very low29.6Very low157 Ų157139.2 Ų139.273%0.72773%0.729SS**SBendtrans-147.2106.2167.3-73-54.7000111.4F323F323-H325 PolarHBondContact O-N 3.31Å; F323-H325 VanDerWaalsContact O-N 3.1Å
326C25.2Very low29.1Very low114 Ų114139.1 Ų139.177%0.7773%0.732SS**  trans54.273.9143.5-52.90000117.8
327F26.7Very low28.4Very low184 Ų184136.4 Ų136.481%0.80773%0.726SS**  trans-113.896.4147.1-88.4-85.3000108.8G329F327-G329 PolarHBondContact O-N 3.04Å
328P30.5Very low28.4Very low130 Ų130139.6 Ų139.684%0.84475%0.745SS**THydrogen-bonded Turntrans-74.5109.3173.730.2-27.8000107.7
329G25.1Very low28.2Very low72 Ų72145.1 Ų145.174%0.74276%0.755SS**THydrogen-bonded Turntrans150-9.9171.300000116.8F327F327-G329 PolarHBondContact O-N 3.04Å
330Y27.5Very low27.7Very low209 Ų209141.6 Ų141.682%0.8275%0.754SS**SBendtrans-100.3119.1172.9-74.1-83.3000110.6
331L27.1Very low27.4Very low153 Ų153139.8 Ų139.880%0.80176%0.758SS**  trans-10135.5174.4-74.9148000116.8
332P28.5Very low27.3Very low108 Ų108137.8 Ų137.870%0.70176%0.764SS**PPolyproline II helixtrans-56.7136.2179.324.3-32.8000110.9F334P332-F334 PolarHBondContact O-N 3.39Å
333P31.1Very low27.3Very low128 Ų128140 Ų14083%0.83177%0.772SS**PPolyproline II helixtrans-62.1125.9-178.324-32.1000110.2
334F28.9Very low27.3Very low189 Ų189142.6 Ų142.683%0.82978%0.777SS**PPolyproline II helixtrans-53.4138.6173.5-80.9-89.9000110.6P332 S336P332-F334 PolarHBondContact O-N 3.39Å; F334-S336 PolarHBondContact O-N 3.29Å; F334-S336 VanDerWaalsContact O-N 3.1Å
335P28.7Very low26.8Very low110 Ų110144.7 Ų144.771%0.71478%0.782SS**PPolyproline II helixtrans-59.7119.2-176.323.1-32.1000109.8T337P335-T337 PolarHBondContact O-N 2.82Å
336S27.2Very low26.8Very low108 Ų108146.1 Ų146.176%0.75579%0.792SS**  trans-60.294.4175.753.20000109.9F334 N338F334-S336 PolarHBondContact O-N 3.29Å; F334-S336 VanDerWaalsContact O-N 3.1Å; S336-N338 PolarHBondContact O-N 2.81Å
337T26.3Very low26.9Very low104 Ų104147.5 Ų147.564%0.63879%0.79SS**  trans-73.8109.7164.739.20000107.6P335 F339P335-T337 PolarHBondContact O-N 2.82Å; T337-F339 VanDerWaalsContact C-N 3.32Å; T337-F339 WeakPolarHBondContact O-CD2 3.49Å; T337-F339 PolarHBondContact O-N 3.24Å; T337-F339 WeakPolarHBondContact OG1-CE2 3.48Å
338N24.6Very low27Very low157 Ų157147.8 Ų147.884%0.8479%0.788SS**  trans-60.489173.2-86-32.4000110S336 G340S336-N338 PolarHBondContact O-N 2.81Å; N338-G340 PolarHBondContact O-N 2.69Å; N338-G340 VanDerWaalsContact O-N 3.09Å
339F28.7Very low27.2Very low191 Ų191148.1 Ų148.184%0.83879%0.789SS**  trans-83.258.6161.7-73.4-81.9000109.7T337T337-F339 VanDerWaalsContact C-N 3.32Å; T337-F339 WeakPolarHBondContact O-CD2 3.49Å; T337-F339 PolarHBondContact O-N 3.24Å; T337-F339 WeakPolarHBondContact OG1-CE2 3.48Å
340G22.6Very low27.4Very low57 Ų57149 Ų14959%0.58879%0.785SS**  trans-79.2129.6162.400000108.5N338N338-G340 PolarHBondContact O-N 2.69Å; N338-G340 VanDerWaalsContact O-N 3.09Å
341S23.9Very low27.4Very low113 Ų113146.4 Ų146.479%0.7979%0.785SS**  trans86.365.4168.581.30000118.6
342V26.6Very low27.4Very low133 Ų133147 Ų14781%0.80679%0.787SS**  trans-129.770.3141-167.80000108.9R344V342-R344 VanDerWaalsContact C-N 3.33Å; V342-R344 HydrophobicContact CG1-CB 4.46Å; V342-R344 PolarHBondContact O-N 3.47Å
343R25.6Very low27.4Very low246 Ų246149.1 Ų149.193%0.92879%0.792SS**  trans-71.493.4154.4-90.2-167.6171.1-165.4-0.7106.8
344R27.4Very low27.3Very low222 Ų222147.7 Ų147.784%0.83879%0.785SS**  trans-134114.2157.9-77.3-167.3176.7164.9-0.1109.7V342 M346V342-R344 VanDerWaalsContact C-N 3.33Å; V342-R344 HydrophobicContact CG1-CB 4.46Å; V342-R344 PolarHBondContact O-N 3.47Å; R344-M346 PolarHBondContact O-N 2.96Å
345N24.6Very low27.8Very low154 Ų154143 Ų14382%0.82478%0.781SS**  trans-42116171.2-57.7-32000111
346M26.9Very low28Very low187 Ų187141.3 Ų141.392%0.92178%0.784SS**  trans-126.180.2157.5-73.7-158.8176.600107.7R344R344-M346 PolarHBondContact O-N 2.96Å
347L27.7Very low28.4Very low142 Ų142140.5 Ų140.574%0.74378%0.778SS**  trans-66.7124.2155.6-93.7134.2000106.8
348Y27.4Very low28.8Very low191 Ų191141.7 Ų141.775%0.74978%0.779SS**  trans77.7102.4172.7-63.1-82.5000118.2S350Y348-S350 PolarHBondContact O-N 2.96Å
349P36.1Very low29.3Very low136 Ų136138.7 Ų138.788%0.88377%0.768SS**  trans-86.388.4165.133.9-26.5000108.6
350S27.9Very low30.2Very low92 Ų92135.8 Ų135.864%0.64377%0.772SS**  trans-131.659.6170.959.70000110.1Y348Y348-S350 PolarHBondContact O-N 2.96Å
351D27.2Very low31Very low154 Ų154139.5 Ų139.582%0.82478%0.778SS**  trans-127.899.1157.5-77.4-39.7000107.4L353D351-L353 PolarHBondContact O-N 3.2Å
352I28.5Very low31.8Very low166 Ų166137.4 Ų137.485%0.85177%0.768SS**  trans-67.598.9174.4-63.7163.1000106.1S354I352-S354 PolarHBondContact O-N 3.32Å
353L28.6Very low32.4Very low151 Ų151139.2 Ų139.279%0.79177%0.765SS**  trans-67.799.3169.7-70171.8000108.2D351D351-L353 PolarHBondContact O-N 3.2Å
354S27.6Very low33.2Very low99 Ų99131.8 Ų131.869%0.69276%0.755SS**  trans-59.7148.2172.4-165.90000110.3I352 G356I352-S354 PolarHBondContact O-N 3.32Å; S354-G356 PolarHBondContact O-N 3.33Å
355A39Very low33.8Very low91 Ų91126 Ų12675%0.75275%0.745SS**THydrogen-bonded Turntrans-62.410.3-168.700000116.4S357A355-S357 VanDerWaalsContact C-N 3.34Å
356G33.5Very low34.9Very low74 Ų74122.1 Ų122.176%0.76373%0.726SS**THydrogen-bonded Turntrans-82.31.5176.900000115.4S354S354-G356 PolarHBondContact O-N 3.33Å
357S35.1Very low35.8Very low90 Ų90119 Ų11963%0.62971%0.713SS**  trans-9520.1-177.870.90000114.6A355 P359A355-S357 VanDerWaalsContact C-N 3.34Å; S357-P359 WeakPolarHBondContact O-CD 3.28Å
358I34.5Very low37Very low129 Ų129117.9 Ų117.966%0.66270%0.704SS**SBendtrans-88.4111.5165.5-57.4174.2000105.9S360 A362I358-S360 PolarHBondContact O-N 3.36Å; I358-A362 HydrophobicContact CG2-CB 4.46Å
359P35.8Very low38Very low94 Ų94113 Ų11361%0.6169%0.688SS**  trans-59.6131.4177.423.5-30.9000109S357 D361 A362S357-P359 WeakPolarHBondContact O-CD 3.28Å; P359-D361 PolarHBondContact O-N 3.1Å; P359-A362 PolarHBondContact O-N 3.37Å
360S47.5Very low38.5Very low131 Ų131111.6 Ų111.692%0.91667%0.673SS**THydrogen-bonded Turntrans-57.3-16.4-173.6-22.10000113.8I358I358-S360 PolarHBondContact O-N 3.36Å
361D39.7Very low39.6Very low135 Ų135112.6 Ų112.672%0.72267%0.667SS**THydrogen-bonded Turntrans-95.97.3-178.3-121.4-3.6000114.2P359 K363P359-D361 PolarHBondContact O-N 3.1Å; D361-K363 PolarHBondContact O-N 3.06Å
362A41.6Very low40.6Very low69 Ų69114 Ų11457%0.5766%0.661SS**  trans-7364.1167.100000110.2I358 P359 A364I358-A362 HydrophobicContact CG2-CB 4.46Å; P359-A362 PolarHBondContact O-N 3.37Å; A362-A364 PolarHBondContact O-N 2.75Å
363K38.8Very low41.5Very low171 Ų171112.6 Ų112.674%0.74365%0.65SS**PPolyproline II helixtrans-59.9123.8169.8-79.7177178.9169.20108.2D361 V365D361-K363 PolarHBondContact O-N 3.06Å; K363-V365 PolarHBondContact O-N 3.05Å; K363-V365 VanDerWaalsContact O-N 3.14Å
364A42.3Very low42.4Very low89 Ų89110.6 Ų110.674%0.73664%0.644SS**PPolyproline II helixtrans-57117.3172.600000108.5A362 T366A362-A364 PolarHBondContact O-N 2.75Å; A364-T366 PolarHBondContact O-N 3.12Å; A364-T366 VanDerWaalsContact O-N 3.14Å
365V39.6Very low43.1Very low102 Ų102114.6 Ų114.662%0.61865%0.649SS**PPolyproline II helixtrans-57.7117.9174178.90000107.3K363 E369K363-V365 PolarHBondContact O-N 3.05Å; K363-V365 VanDerWaalsContact O-N 3.14Å; V365-E369 HydrophobicContact CG1-CB 3.86Å; V365-E369 HydrophobicContact CG1-CG 4.13Å
366T46.8Very low43Very low71 Ų71117.7 Ų117.744%0.43665%0.651SS.*PPolyproline II helixtrans-71.4155.5-177.871.50000110.1A364 E368 E369 L370A364-T366 PolarHBondContact O-N 3.12Å; A364-T366 VanDerWaalsContact O-N 3.14Å; T366-E368 VanDerWaalsContact CB-OE2 3.29Å; T366-E368 WeakPolarHBondContact CB-OE2 3.5Å; T366-E368 PolarHBondContact O-N 2.87Å; T366-E368 PolarHBondContact OG1-OE2 3.34Å; T366-E369 WeakPolarHBondContact O-CB 3.49Å; T366-E369 PolarHBondContact O-N 3.38Å; T366-L370 PolarHBondContact O-N 3.04Å
367L46.8Very low43.2Very low121 Ų121118.6 Ų118.663%0.63465%0.652SS**Hα-helixtrans-58.7-31.7-177.2-169.9134.7000111.7E369 L370 E371L367-E369 VanDerWaalsContact C-N 3.31Å; L367-E369 PolarHBondContact O-N 3.43Å; L367-L370 PolarHBondContact O-N 3.49Å; L367-E371 HydrophobicContact CD2-CG 4.19Å; L367-E371 WeakPolarHBondContact O-CG 3.29Å; L367-E371 PolarHBondContact O-N 3.15Å
368E53Low43.2Very low119 Ų119116.9 Ų116.956%0.55665%0.648SS**Hα-helixtrans-66.2-32.5174.9-5794.2-179.200113T366 R372T366-E368 VanDerWaalsContact CB-OE2 3.29Å; T366-E368 WeakPolarHBondContact CB-OE2 3.5Å; T366-E368 PolarHBondContact O-N 2.87Å; T366-E368 PolarHBondContact OG1-OE2 3.34Å; E368-R372 PolarHBondContact O-N 3.46Å
369E48.7Very low43.5Very low90 Ų90117.1 Ų117.142%0.42166%0.658SS.*Hα-helixtrans-75.4-32.9178.9-161.9157.9-144.900111.1V365 T366 L367 H373V365-E369 HydrophobicContact CG1-CB 3.86Å; V365-E369 HydrophobicContact CG1-CG 4.13Å; T366-E369 WeakPolarHBondContact O-CB 3.49Å; T366-E369 PolarHBondContact O-N 3.38Å; L367-E369 VanDerWaalsContact C-N 3.31Å; L367-E369 PolarHBondContact O-N 3.43Å; E369-H373 PolarHBondContact O-N 3.27Å; E369-H373 PolarHBondContact O-ND1 3.02Å
370L46.9Very low43.7Very low106 Ų106120.9 Ų120.956%0.55567%0.672SS**Hα-helixtrans-68-43.5169.2-168.969.9000111.6T366 L367 R372 H373 V374T366-L370 PolarHBondContact O-N 3.04Å; L367-L370 PolarHBondContact O-N 3.49Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 3.03Å; L370-H373 PolarHBondContact O-N 3.41Å; L370-H373 VanDerWaalsContact O-N 3.16Å; L370-V374 WeakPolarHBondContact O-CG2 3.41Å; L370-V374 PolarHBondContact O-N 3.45Å
371E50.1Low43.1Very low113 Ų113118.5 Ų118.553%0.52866%0.66SS.*Hα-helixtrans-64.6-35.4178.1-76.5-170.5166.800112.7L367 V374 K375L367-E371 HydrophobicContact CD2-CG 4.19Å; L367-E371 WeakPolarHBondContact O-CG 3.29Å; L367-E371 PolarHBondContact O-N 3.15Å; E371-V374 PolarHBondContact O-N 3.3Å; E371-K375 PolarHBondContact O-N 3.14Å; E371-K375 VanDerWaalsContact O-N 3.12Å
372R49Very low43Very low182 Ų182118 Ų11869%0.68767%0.665SS**Hα-helixtrans-62.4-40.7171.4-90.5-171.3-79.5-157.8-1.7112.4E368 L370 V374E368-R372 PolarHBondContact O-N 3.46Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 3.03Å; R372-V374 VanDerWaalsContact C-N 3.34Å
373H46.3Very low42.8Very low138 Ų138121.3 Ų121.364%0.63968%0.677SS**Hα-helixtrans-70.6-29.5177.2-76.5106.1000113.1E369 L370E369-H373 PolarHBondContact O-N 3.27Å; E369-H373 PolarHBondContact O-ND1 3.02Å; L370-H373 PolarHBondContact O-N 3.41Å; L370-H373 VanDerWaalsContact O-N 3.16Å
374V48.7Very low42.5Very low108 Ų108117.8 Ų117.866%0.65568%0.675SS**Hα-helixtrans-83.5-17.7-179.5175.70000112.7L370 E371 R372 I376L370-V374 WeakPolarHBondContact O-CG2 3.41Å; L370-V374 PolarHBondContact O-N 3.45Å; E371-V374 PolarHBondContact O-N 3.3Å; R372-V374 VanDerWaalsContact C-N 3.34Å; V374-I376 PolarHBondContact O-N 2.86Å
375K41.5Very low42.4Very low184 Ų184119 Ų11980%0.868%0.675SS**THydrogen-bonded Turntrans-71.111.1-177.4-122.5178.8-175.3177.20115.9E371 A377E371-K375 PolarHBondContact O-N 3.14Å; E371-K375 VanDerWaalsContact O-N 3.12Å; K375-A377 PolarHBondContact O-N 2.8Å
376I37.9Very low42.3Very low155 Ų155121.7 Ų121.780%0.79568%0.684SS**  trans-100.467.7173.5-46.5176.9000109.8V374V374-I376 PolarHBondContact O-N 2.86Å
377A36.5Very low41.8Very low94 Ų94125.6 Ų125.678%0.77770%0.702SS**  trans-166.642.9157.100000109.4K375K375-A377 PolarHBondContact O-N 2.8Å
378G35.2Very low41.2Very low54 Ų54124.7 Ų124.756%0.55771%0.706SS**PPolyproline II helixtrans-70.2136.7166.400000109.1L380G378-L380 PolarHBondContact O-N 3.45Å; G378-L380 VanDerWaalsContact O-N 3.1Å
379P41.1Very low40.2Very low134 Ų134126.8 Ų126.887%0.8772%0.715SS**PPolyproline II helixtrans-60.6117.4177.7-1.79.4000109.3A381P379-A381 PolarHBondContact O-N 3.33Å
380L39.2Very low39.6Very low172 Ų172132.1 Ų132.190%0.90174%0.74SS**PPolyproline II helixtrans-56.9120.1176.7-78.9155.4000110.3G378G378-L380 PolarHBondContact O-N 3.45Å; G378-L380 VanDerWaalsContact O-N 3.1Å
381A34.7Very low38.8Very low81 Ų81133.1 Ų133.167%0.66976%0.755SS**  trans40.2132.8148.300000120.4P379 V383P379-A381 PolarHBondContact O-N 3.33Å; A381-V383 PolarHBondContact O-N 3.03Å
382P39Very low38Very low126 Ų126140.7 Ų140.782%0.81879%0.79SS**  trans-67.2131.7178.228.9-32.7000111.1S384P382-S384 PolarHBondContact O-N 3.37Å
383V37.4Very low37.4Very low137 Ų137138.7 Ų138.783%0.8380%0.795SS**  trans-55.6106170.2-178.70000108.4A381A381-V383 PolarHBondContact O-N 3.03Å
384S32.6Very low37Very low98 Ų98138.7 Ų138.769%0.68580%0.803SS**  trans-60.6133.5168.143.50000109.2P382 I386P382-S384 PolarHBondContact O-N 3.37Å; S384-I386 PolarHBondContact O-N 3.31Å
385P39.2Very low36.3Very low115 Ų115140.4 Ų140.475%0.74781%0.812SS**  trans-64.8134.7-17826.3-31.3000109.8D387P385-D387 PolarHBondContact O-N 3.02Å; P385-D387 VanDerWaalsContact O-N 3.15Å
386I38Very low36Very low157 Ų157137.8 Ų137.881%0.80581%0.812SS**  trans-63.4110.9177.4-65.1159.3000107.5S384 S388S384-I386 PolarHBondContact O-N 3.31Å; I386-S388 PolarHBondContact O-N 3.2Å
387D35.3Very low35.9Very low154 Ų154136.8 Ų136.882%0.82481%0.813SS**  trans-62.399.9169.3-88.9-36000109.1P385 H389P385-D387 PolarHBondContact O-N 3.02Å; P385-D387 VanDerWaalsContact O-N 3.15Å; D387-H389 VanDerWaalsContact C-N 3.26Å; D387-H389 PolarHBondContact O-N 3.25Å; D387-H389 VanDerWaalsContact O-N 3.08Å
388S34.4Very low35.8Very low101 Ų101139.6 Ų139.671%0.70682%0.816SS**  trans-7973.5169.445.90000109.9I386I386-S388 PolarHBondContact O-N 3.2Å
389H32.4Very low35.9Very low163 Ų163145.7 Ų145.776%0.75583%0.834SS**  trans-152.496.7163.2-77.3-68.5000110D387D387-H389 VanDerWaalsContact C-N 3.26Å; D387-H389 PolarHBondContact O-N 3.25Å; D387-H389 VanDerWaalsContact O-N 3.08Å
390H36.2Very low35.5Very low202 Ų202146.6 Ų146.694%0.93583%0.832SS**  trans-142.983.4146.4-105.355.6000106.7
391C30Very low35.2Very low128 Ų128144.5 Ų144.587%0.86583%0.826SS**  trans-92.8116.8148.2-75.30000105.6
392E32.9Very low35.2Very low272 Ų272150.3 Ų150.3100%1.27184%0.84SS**  trans-160.60133.3-105.7179.8-174.200109.2

Retrieved 392 of 392 residues in 731.6 ms (Link to these results)